CID 205004

Lg 256

Structural Information

Molecular Formula
C19H22ClN3O2
SMILES
CN1CCN(CC1)CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C19H22ClN3O2/c1-22-8-10-23(11-9-22)13-15-12-17(6-7-18(15)24)21-19(25)14-2-4-16(20)5-3-14/h2-7,12,24H,8-11,13H2,1H3,(H,21,25)
InChIKey
YXSSCVWDQXKKJA-UHFFFAOYSA-N
Compound name
4-chloro-N-[4-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.14005 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.14733 185.5
[M+Na]+ 382.12927 191.1
[M-H]- 358.13277 190.4
[M+NH4]+ 377.17387 195.0
[M+K]+ 398.10321 184.3
[M+H-H2O]+ 342.13731 175.4
[M+HCOO]- 404.13825 197.0
[M+CH3COO]- 418.15390 213.7
[M+Na-2H]- 380.11472 186.0
[M]+ 359.13950 183.2
[M]- 359.14060 183.2
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

No patent data available for this compound.