CID 1716325

(e)-4-(3-dibenzo(b,e)thiepin-11(6h)-ylidenepropyl)-1-piperazineethanol maleate (1:2)

Structural Information

Molecular Formula
C23H28N2OS
SMILES
C1CN(CCN1CC/C=C\2/C3=CC=CC=C3CSC4=CC=CC=C42)CCO
InChI
InChI=1S/C23H28N2OS/c26-17-16-25-14-12-24(13-15-25)11-5-9-21-20-7-2-1-6-19(20)18-27-23-10-4-3-8-22(21)23/h1-4,6-10,26H,5,11-18H2/b21-9-
InChIKey
GBTIYAZGLIXSCT-NKVSQWTQSA-N
Compound name
2-[4-[(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.19223 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.19951 192.7
[M+Na]+ 403.18145 203.9
[M+NH4]+ 398.22605 200.6
[M+K]+ 419.15539 193.8
[M-H]- 379.18495 196.8
[M+Na-2H]- 401.16690 197.6
[M]+ 380.19168 196.0
[M]- 380.19278 196.0
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.