CID 124111495

1971921-35-3

Structural Information

Molecular Formula
C23H23N5O2
SMILES
C1C[C@H](CNC1)N2C3=C(C(=NC=C3)N)N(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5
InChI
InChI=1S/C23H23N5O2/c24-22-21-20(12-14-26-22)27(17-5-4-13-25-15-17)23(29)28(21)16-8-10-19(11-9-16)30-18-6-2-1-3-7-18/h1-3,6-12,14,17,25H,4-5,13,15H2,(H2,24,26)/t17-/m1/s1
InChIKey
PGMVBJNTAHIBGK-QGZVFWFLSA-N
Compound name
4-amino-3-(4-phenoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

401.18518 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.19246 197.6
[M+Na]+ 424.17440 213.5
[M+NH4]+ 419.21900 204.1
[M+K]+ 440.14834 207.0
[M-H]- 400.17790 204.3
[M+Na-2H]- 422.15985 207.2
[M]+ 401.18463 201.7
[M]- 401.18573 201.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe