PubChemLite - Db-766 (C34H34N6O3)

Structural Information

Molecular Formula

SMILES

CC(C)OC1=C(C=CC(=C1)NC(=N)C2=CC=CC=N2)C3=CC=C(O3)C4=C(C=C(C=C4)NC(=N)C5=CC=CC=N5)OC(C)C

InChI

InChI=1S/C34H34N6O3/c1-21(2)41-31-19-23(39-33(35)27-9-5-7-17-37-27)11-13-25(31)29-15-16-30(43-29)26-14-12-24(20-32(26)42-22(3)4)40-34(36)28-10-6-8-18-38-28/h5-22H,1-4H3,(H2,35,39)(H2,36,40)

InChIKey

QCFKWNGTLZQXRE-UHFFFAOYSA-N

Compound name

N-[3-propan-2-yloxy-4-[5-[2-propan-2-yloxy-4-(pyridine-2-carboximidoylamino)phenyl]furan-2-yl]phenyl]pyridine-2-carboximidamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	575.27648	239.7
[M+Na]+	597.25842	240.3
[M-H]-	573.26192	253.2
[M+NH4]+	592.30302	238.2
[M+K]+	613.23236	236.1
[M+H-H2O]+	557.26646	225.9
[M+HCOO]-	619.26740	258.6
[M+CH3COO]-	633.28305	244.2
[M+Na-2H]-	595.24387	238.0
[M]+	574.26865	239.7
[M]-	574.26975	239.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

575.27648

239.7

[M+Na]+

597.25842

240.3

[M-H]-

573.26192

253.2

[M+NH4]+

592.30302

238.2

[M+K]+

613.23236

236.1

[M+H-H2O]+

557.26646

225.9

[M+HCOO]-

619.26740

258.6

[M+CH3COO]-

633.28305

244.2

[M+Na-2H]-

595.24387

238.0

[M]+

574.26865

239.7

[M]-

574.26975

239.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Db-766

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe