CID 3046678

2h-1,5-benzodiazepin-2-one, 1,3-dihydro-1-phenyl-4-(1-pyrrolidinyl)-

Structural Information

Molecular Formula
C19H19N3O
SMILES
C1CCN(C1)C2=NC3=CC=CC=C3N(C(=O)C2)C4=CC=CC=C4
InChI
InChI=1S/C19H19N3O/c23-19-14-18(21-12-6-7-13-21)20-16-10-4-5-11-17(16)22(19)15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2
InChIKey
NBCNPBGGEQIYMS-UHFFFAOYSA-N
Compound name
1-phenyl-4-pyrrolidin-1-yl-3H-1,5-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1528 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.160076 174.5
[M+Na]+ 328.142018 180.9
[M-H]- 304.145524 181.8
[M+NH4]+ 323.186623 186.8
[M+K]+ 344.115958 178.2
[M+H-H2O]+ 288.150060 163.7
[M+HCOO]- 350.151001 190.7
[M+CH3COO]- 364.166651 184.0
[M+Na-2H]- 326.127466 176.3
[M]+ 305.15225142 168.4
[M]- 305.15334858 168.4
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.