PubChemLite - Azd1979 (C25H26N4O5)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)C2=NN=C(O2)C(=O)N3CC(C3)OC4=CC=C(C=C4)CN5CC6(C5)COC6

InChI

InChI=1S/C25H26N4O5/c1-31-19-8-4-18(5-9-19)22-26-27-23(34-22)24(30)29-11-21(12-29)33-20-6-2-17(3-7-20)10-28-13-25(14-28)15-32-16-25/h2-9,21H,10-16H2,1H3

InChIKey

BKKPIQPFRAPEAY-UHFFFAOYSA-N

Compound name

[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy]azetidin-1-yl]methanone

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]+	463.19758	197.0
[M+Na]+	485.17952	197.5
[M+NH4]+	480.22412	192.7
[M+K]+	501.15346	197.7
[M-H]-	461.18302	196.7
[M+Na-2H]-	483.16497	197.3
[M]+	462.18975	194.3
[M]-	462.19085	194.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

463.19758

197.0

[M+Na]+

485.17952

197.5

[M+NH4]+

480.22412

192.7

[M+K]+

501.15346

197.7

[M-H]-

461.18302

196.7

[M+Na-2H]-

483.16497

197.3

[M]+

462.18975

194.3

[M]-

462.19085

194.3

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

Azd1979

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe