CID 34274

Uldazepam

Structural Information

Molecular Formula
C18H15Cl2N3O
SMILES
C=CCONC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3Cl
InChI
InChI=1S/C18H15Cl2N3O/c1-2-9-24-23-17-11-21-18(13-5-3-4-6-15(13)20)14-10-12(19)7-8-16(14)22-17/h2-8,10H,1,9,11H2,(H,22,23)
InChIKey
DTMPGSXFUXZBDK-UHFFFAOYSA-N
Compound name
7-chloro-5-(2-chlorophenyl)-N-prop-2-enoxy-3H-1,4-benzodiazepin-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

3258
Patents

359.0592 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.066476 180.8
[M+Na]+ 382.048418 191.6
[M-H]- 358.051924 185.9
[M+NH4]+ 377.093023 193.0
[M+K]+ 398.022358 188.6
[M+H-H2O]+ 342.056460 171.3
[M+HCOO]- 404.057401 192.7
[M+CH3COO]- 418.073051 190.9
[M+Na-2H]- 380.033866 185.8
[M]+ 359.05865142 182.6
[M]- 359.05974858 182.6
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

patents stripe