CID 16225380

934828-12-3

Structural Information

Molecular Formula
C24H29N5O
SMILES
CC1=NN(C=C1CN2CCC(CC2)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)C
InChI
InChI=1S/C24H29N5O/c1-17-21(15-28(2)27-17)16-29-13-11-19(12-14-29)18-7-9-20(10-8-18)24(30)26-23-6-4-3-5-22(23)25/h3-10,15,19H,11-14,16,25H2,1-2H3,(H,26,30)
InChIKey
JHDZMASHNBKTPS-UHFFFAOYSA-N
Compound name
N-(2-aminophenyl)-4-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

197
Patents

403.2372 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.24448 202.0
[M+Na]+ 426.22642 214.4
[M+NH4]+ 421.27102 208.1
[M+K]+ 442.20036 208.7
[M-H]- 402.22992 209.1
[M+Na-2H]- 424.21187 210.2
[M]+ 403.23665 205.5
[M]- 403.23775 205.5
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