PubChemLite - Ag-270 (C30H27N5O2)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)C2=C(N=C3C(=C(NN3C2=O)C4=CC=CC=C4)C5=CCCCC5)NC6=CC=CC=N6

InChI

InChI=1S/C30H27N5O2/c1-37-23-17-15-21(16-18-23)26-28(32-24-14-8-9-19-31-24)33-29-25(20-10-4-2-5-11-20)27(34-35(29)30(26)36)22-12-6-3-7-13-22/h3,6-10,12-19,34H,2,4-5,11H2,1H3,(H,31,32)

InChIKey

LSOYYWKBUKXUHQ-UHFFFAOYSA-N

Compound name

3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one

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]+	490.22374	218.9
[M+Na]+	512.20568	225.7
[M-H]-	488.20918	229.0
[M+NH4]+	507.25028	220.9
[M+K]+	528.17962	215.5
[M+H-H2O]+	472.21372	203.8
[M+HCOO]-	534.21466	234.1
[M+CH3COO]-	548.23031	224.9
[M+Na-2H]-	510.19113	220.3
[M]+	489.21591	216.8
[M]-	489.21701	216.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

490.22374

218.9

[M+Na]+

512.20568

225.7

[M-H]-

488.20918

229.0

[M+NH4]+

507.25028

220.9

[M+K]+

528.17962

215.5

[M+H-H2O]+

472.21372

203.8

[M+HCOO]-

534.21466

234.1

[M+CH3COO]-

548.23031

224.9

[M+Na-2H]-

510.19113

220.3

[M]+

489.21591

216.8

[M]-

489.21701

216.8

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

Ag-270

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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