CID 16225380

Cxd101

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
4
Annotation Hits

0
References

198
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 200.6
[M+Na]+ 426.22642 204.9
[M-H]- 402.22992 208.6
[M+NH4]+ 421.27102 207.7
[M+K]+ 442.20036 197.8
[M+H-H2O]+ 386.23446 188.2
[M+HCOO]- 448.23540 217.4
[M+CH3COO]- 462.25105 207.8
[M+Na-2H]- 424.21187 198.1
[M]+ 403.23665 195.7
[M]- 403.23775 195.7
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