CID 42636556

(r)-benzodiazepinedione

Structural Information

Molecular Formula
C18H15N3O2
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H]3C(=O)NC4=CC=CC=C4C(=O)N3
InChI
InChI=1S/C18H15N3O2/c22-17-13-6-2-4-8-15(13)20-18(23)16(21-17)9-11-10-19-14-7-3-1-5-12(11)14/h1-8,10,16,19H,9H2,(H,20,23)(H,21,22)/t16-/m1/s1
InChIKey
AQDZAHJUWYRHGM-MRXNPFEDSA-N
Compound name
(3R)-3-(1H-indol-3-ylmethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

503
Patents

305.11642 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12370 172.1
[M+Na]+ 328.10564 184.1
[M+NH4]+ 323.15024 178.2
[M+K]+ 344.07958 180.0
[M-H]- 304.10914 173.6
[M+Na-2H]- 326.09109 176.9
[M]+ 305.11587 174.1
[M]- 305.11697 174.1
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.