CID 3046678

Brn 0818854

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]+ 306.16008 176.4
[M+Na]+ 328.14202 189.0
[M+NH4]+ 323.18662 183.8
[M+K]+ 344.11596 183.6
[M-H]- 304.14552 181.0
[M+Na-2H]- 326.12747 184.1
[M]+ 305.15225 179.6
[M]- 305.15335 179.6
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.