CID 56658

Brn 5616950

Structural Information

Molecular Formula
C21H23N3O
SMILES
CN1CCC(CC1)N2C(=O)CN=C(C3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C21H23N3O/c1-23-13-11-17(12-14-23)24-19-10-6-5-9-18(19)21(22-15-20(24)25)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3
InChIKey
KWXZTWKXRDLJAV-UHFFFAOYSA-N
Compound name
1-(1-methylpiperidin-4-yl)-5-phenyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

333.1841 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.19138 185.6
[M+Na]+ 356.17332 199.1
[M+NH4]+ 351.21792 192.9
[M+K]+ 372.14726 191.3
[M-H]- 332.17682 190.8
[M+Na-2H]- 354.15877 193.4
[M]+ 333.18355 189.2
[M]- 333.18465 189.2
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

patents stripe