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 173.2
[M+Na]+ 328.10564 181.8
[M-H]- 304.10914 176.1
[M+NH4]+ 323.15024 185.3
[M+K]+ 344.07958 177.2
[M+H-H2O]+ 288.11368 164.7
[M+HCOO]- 350.11462 187.2
[M+CH3COO]- 364.13027 182.3
[M+Na-2H]- 326.09109 176.5
[M]+ 305.11587 167.1
[M]- 305.11697 167.1
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.