CID 91001

23892-57-1

Structural Information

Molecular Formula
C23H28N4S
SMILES
C1CN(CCN1CCNC(CC2=CC=CC=C2)C3=CC=CC=C3)C4=NC=CS4
InChI
InChI=1S/C23H28N4S/c1-3-7-20(8-4-1)19-22(21-9-5-2-6-10-21)24-11-13-26-14-16-27(17-15-26)23-25-12-18-28-23/h1-10,12,18,22,24H,11,13-17,19H2
InChIKey
ABLCRXQOSPHRDJ-UHFFFAOYSA-N
Compound name
1,2-diphenyl-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.20346 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.21074 191.2
[M+Na]+ 415.19268 194.0
[M-H]- 391.19618 198.3
[M+NH4]+ 410.23728 199.3
[M+K]+ 431.16662 186.7
[M+H-H2O]+ 375.20072 179.4
[M+HCOO]- 437.20166 203.2
[M+CH3COO]- 451.21731 198.2
[M+Na-2H]- 413.17813 190.2
[M]+ 392.20291 187.7
[M]- 392.20401 187.7
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.