CID 25734

5h-dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-10-(2-(dimethylamino)ethyl)-

Structural Information

Molecular Formula
C17H19N3O
SMILES
CN(C)CCN1C2=CC=CC=C2NC3=CC=CC=C3C1=O
InChI
InChI=1S/C17H19N3O/c1-19(2)11-12-20-16-10-6-5-9-15(16)18-14-8-4-3-7-13(14)17(20)21/h3-10,18H,11-12H2,1-2H3
InChIKey
STBMTRPPGSYEFD-UHFFFAOYSA-N
Compound name
5-[2-(dimethylamino)ethyl]-11H-benzo[b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

281.1528 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.16008 164.7
[M+Na]+ 304.14202 171.6
[M-H]- 280.14552 168.7
[M+NH4]+ 299.18662 179.2
[M+K]+ 320.11596 171.1
[M+H-H2O]+ 264.15006 156.8
[M+HCOO]- 326.15100 182.3
[M+CH3COO]- 340.16665 175.1
[M+Na-2H]- 302.12747 170.9
[M]+ 281.15225 162.3
[M]- 281.15335 162.3
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