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 178.4
[M+Na]+ 365.10272 187.4
[M-H]- 341.10622 184.0
[M+NH4]+ 360.14732 190.7
[M+K]+ 381.07666 185.5
[M+H-H2O]+ 325.11076 169.2
[M+HCOO]- 387.11170 192.5
[M+CH3COO]- 401.12735 188.6
[M+Na-2H]- 363.08817 182.2
[M]+ 342.11295 180.0
[M]- 342.11405 180.0
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