CID 207557

30198-81-3

Structural Information

Molecular Formula
C19H24ClN5O2
SMILES
COC1=CC(=C(C=C1C(=O)NCCN2CCN(CC2)C3=CC=CC=N3)Cl)N
InChI
InChI=1S/C19H24ClN5O2/c1-27-17-13-16(21)15(20)12-14(17)19(26)23-6-7-24-8-10-25(11-9-24)18-4-2-3-5-22-18/h2-5,12-13H,6-11,21H2,1H3,(H,23,26)
InChIKey
CZRQPYNKTQRBLW-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-2-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.16187 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.16915 193.3
[M+Na]+ 412.15109 198.4
[M-H]- 388.15459 197.6
[M+NH4]+ 407.19569 200.2
[M+K]+ 428.12503 191.9
[M+H-H2O]+ 372.15913 181.7
[M+HCOO]- 434.16007 205.3
[M+CH3COO]- 448.17572 223.4
[M+Na-2H]- 410.13654 194.1
[M]+ 389.16132 191.6
[M]- 389.16242 191.6
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