CID 3057700

4h-thieno(3,4-b)(1,5)benzodiazepine-4-carboxaldehyde, 10-(4-formyl-1-piperazinyl)-

Structural Information

Molecular Formula
C17H16N4O2S
SMILES
C1CN(CCN1C=O)C2=NC3=CC=CC=C3N(C4=CSC=C42)C=O
InChI
InChI=1S/C17H16N4O2S/c22-11-19-5-7-20(8-6-19)17-13-9-24-10-16(13)21(12-23)15-4-2-1-3-14(15)18-17/h1-4,9-12H,5-8H2
InChIKey
IOGLKFOTWOQFAM-UHFFFAOYSA-N
Compound name
4-(4-formylpiperazin-1-yl)thieno[3,4-b][1,5]benzodiazepine-10-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.0994 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10668 180.8
[M+Na]+ 363.08862 192.2
[M+NH4]+ 358.13322 187.4
[M+K]+ 379.06256 186.0
[M-H]- 339.09212 182.8
[M+Na-2H]- 361.07407 184.8
[M]+ 340.09885 183.4
[M]- 340.09995 183.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.