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

86
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 184.8
[M+Na]+ 412.10345 194.4
[M+NH4]+ 407.14805 189.4
[M+K]+ 428.07739 190.2
[M-H]- 388.10695 184.7
[M+Na-2H]- 410.08890 187.1
[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