CID 23018

Brn 0897018

Structural Information

Molecular Formula
C19H19ClN2O2
SMILES
CCOCCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C19H19ClN2O2/c1-2-24-11-10-22-17-9-8-15(20)12-16(17)19(21-13-18(22)23)14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3
InChIKey
LUVRMPZXOOFLSE-UHFFFAOYSA-N
Compound name
7-chloro-1-(2-ethoxyethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1135 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12078 178.7
[M+Na]+ 365.10272 193.0
[M+NH4]+ 360.14732 185.9
[M+K]+ 381.07666 185.2
[M-H]- 341.10622 182.3
[M+Na-2H]- 363.08817 186.1
[M]+ 342.11295 182.2
[M]- 342.11405 182.2
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.