CID 3046677

Brn 0805725

Structural Information

Molecular Formula
C17H17N3O
SMILES
CN(C)C1=NC2=CC=CC=C2N(C(=O)C1)C3=CC=CC=C3
InChI
InChI=1S/C17H17N3O/c1-19(2)16-12-17(21)20(13-8-4-3-5-9-13)15-11-7-6-10-14(15)18-16/h3-11H,12H2,1-2H3
InChIKey
CSRFUDHPPHDGAI-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-1-phenyl-3H-1,5-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.13718 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.14446 164.6
[M+Na]+ 302.12640 171.8
[M-H]- 278.12990 172.1
[M+NH4]+ 297.17100 178.6
[M+K]+ 318.10034 172.3
[M+H-H2O]+ 262.13444 155.6
[M+HCOO]- 324.13538 185.1
[M+CH3COO]- 338.15103 175.8
[M+Na-2H]- 300.11185 170.4
[M]+ 279.13663 162.4
[M]- 279.13773 162.4
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.