CID 126921

Siltenzepine

Structural Information

Molecular Formula
C19H20ClN3O4
SMILES
C1=CC=C2C(=C1)C(=O)NC3=C(N2C(=O)CN(CCO)CCO)C=CC(=C3)Cl
InChI
InChI=1S/C19H20ClN3O4/c20-13-5-6-17-15(11-13)21-19(27)14-3-1-2-4-16(14)23(17)18(26)12-22(7-9-24)8-10-25/h1-6,11,24-25H,7-10,12H2,(H,21,27)
InChIKey
DDBKYWMANNIJRH-UHFFFAOYSA-N
Compound name
11-[2-[bis(2-hydroxyethyl)amino]acetyl]-3-chloro-5H-benzo[b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

389.11423 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.12151 186.0
[M+Na]+ 412.10345 192.9
[M-H]- 388.10695 187.3
[M+NH4]+ 407.14805 196.0
[M+K]+ 428.07739 192.3
[M+H-H2O]+ 372.11149 178.2
[M+HCOO]- 434.11243 195.8
[M+CH3COO]- 448.12808 218.4
[M+Na-2H]- 410.08890 188.9
[M]+ 389.11368 186.1
[M]- 389.11478 186.1
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

patents stripe