CID 3051406

Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2h)-one, 2-(3-(dimethylamino)propyl)-3,4-dihydro-

Structural Information

Molecular Formula
C16H21N3O
SMILES
CC(CN1CCN2C=CC3=C2C(=CC=C3)C1=O)N(C)C
InChI
InChI=1S/C16H21N3O/c1-12(17(2)3)11-19-10-9-18-8-7-13-5-4-6-14(15(13)18)16(19)20/h4-8,12H,9-11H2,1-3H3
InChIKey
AHTBJHBGSXWADQ-UHFFFAOYSA-N
Compound name
10-[2-(dimethylamino)propyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.16846 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.17574 159.5
[M+Na]+ 294.15768 169.6
[M+NH4]+ 289.20228 167.0
[M+K]+ 310.13162 166.5
[M-H]- 270.16118 161.1
[M+Na-2H]- 292.14313 163.5
[M]+ 271.16791 161.3
[M]- 271.16901 161.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.