CID 112029

Propizepine

Structural Information

Molecular Formula
C17H20N4O
SMILES
CC(CN1C2=CC=CC=C2NC3=C(C1=O)C=CC=N3)N(C)C
InChI
InChI=1S/C17H20N4O/c1-12(20(2)3)11-21-15-9-5-4-8-14(15)19-16-13(17(21)22)7-6-10-18-16/h4-10,12H,11H2,1-3H3,(H,18,19)
InChIKey
YFLBETLXDPBWTD-UHFFFAOYSA-N
Compound name
6-[2-(dimethylamino)propyl]-11H-pyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3176
Patents

296.1637 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.17098 169.0
[M+Na]+ 319.15292 175.8
[M-H]- 295.15642 171.8
[M+NH4]+ 314.19752 181.5
[M+K]+ 335.12686 175.6
[M+H-H2O]+ 279.16096 159.8
[M+HCOO]- 341.16190 184.4
[M+CH3COO]- 355.17755 178.6
[M+Na-2H]- 317.13837 174.3
[M]+ 296.16315 166.5
[M]- 296.16425 166.5
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