CID 5536265

315198-38-0

Structural Information

Molecular Formula
C20H23ClN4O
SMILES
C1CN(CCN1CC2=CC=CC=C2Cl)CC(=O)N/N=C\C3=CC=CC=C3
InChI
InChI=1S/C20H23ClN4O/c21-19-9-5-4-8-18(19)15-24-10-12-25(13-11-24)16-20(26)23-22-14-17-6-2-1-3-7-17/h1-9,14H,10-13,15-16H2,(H,23,26)/b22-14-
InChIKey
BJQNCAYYHYFXPN-HMAPJEAMSA-N
Compound name
N-[(Z)-benzylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.15604 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.16332 189.1
[M+Na]+ 393.14526 192.8
[M-H]- 369.14876 195.5
[M+NH4]+ 388.18986 198.5
[M+K]+ 409.11920 186.1
[M+H-H2O]+ 353.15330 177.5
[M+HCOO]- 415.15424 204.2
[M+CH3COO]- 429.16989 220.4
[M+Na-2H]- 391.13071 191.9
[M]+ 370.15549 187.0
[M]- 370.15659 187.0
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.