CID 207714

Brn 0624565

Structural Information

Molecular Formula
C17H20N4O
SMILES
CC1=NC2=C(C=C1)C(=O)N(C3=CC=CC=C3N2)CCN(C)C
InChI
InChI=1S/C17H20N4O/c1-12-8-9-13-16(18-12)19-14-6-4-5-7-15(14)21(17(13)22)11-10-20(2)3/h4-9H,10-11H2,1-3H3,(H,18,19)
InChIKey
ZFLYKXWKMDFRIM-UHFFFAOYSA-N
Compound name
6-[2-(dimethylamino)ethyl]-2-methyl-11H-pyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 170.4
[M+Na]+ 319.15292 178.3
[M-H]- 295.15642 173.4
[M+NH4]+ 314.19752 183.3
[M+K]+ 335.12686 177.6
[M+H-H2O]+ 279.16096 161.1
[M+HCOO]- 341.16190 186.6
[M+CH3COO]- 355.17755 180.3
[M+Na-2H]- 317.13837 175.9
[M]+ 296.16315 168.8
[M]- 296.16425 168.8
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.