CID 47694

Brn 0833762

Structural Information

Molecular Formula
C21H25N3O
SMILES
C1CCN(C1)CCN2CCN(C3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C21H25N3O/c25-21-19-10-4-5-11-20(19)24(18-8-2-1-3-9-18)17-16-23(21)15-14-22-12-6-7-13-22/h1-5,8-11H,6-7,12-17H2
InChIKey
YFHLFXICDSSMQY-UHFFFAOYSA-N
Compound name
1-phenyl-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.19977 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.20705 186.1
[M+Na]+ 358.18899 197.4
[M+NH4]+ 353.23359 193.1
[M+K]+ 374.16293 191.7
[M-H]- 334.19249 190.4
[M+Na-2H]- 356.17444 192.4
[M]+ 335.19922 188.9
[M]- 335.20032 188.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.