CID 90994

23892-32-2

Structural Information

Molecular Formula
C22H25ClN4S
SMILES
C1CN(CCN1CCNC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=NC=CS4
InChI
InChI=1S/C22H25ClN4S/c23-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-10-12-26-13-15-27(16-14-26)22-25-11-17-28-22/h1-9,11,17,21,24H,10,12-16H2
InChIKey
DIJJVQWKIPOUHO-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)-phenylmethyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.14883 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.15611 194.9
[M+Na]+ 435.13805 199.6
[M-H]- 411.14155 202.3
[M+NH4]+ 430.18265 203.3
[M+K]+ 451.11199 191.4
[M+H-H2O]+ 395.14609 183.6
[M+HCOO]- 457.14703 202.5
[M+CH3COO]- 471.16268 202.2
[M+Na-2H]- 433.12350 193.1
[M]+ 412.14828 193.7
[M]- 412.14938 193.7
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

No patent data available for this compound.