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]+ 297.170976 170.4
[M+Na]+ 319.152918 178.3
[M-H]- 295.156424 173.4
[M+NH4]+ 314.197523 183.3
[M+K]+ 335.126858 177.6
[M+H-H2O]+ 279.160960 161.1
[M+HCOO]- 341.161901 186.6
[M+CH3COO]- 355.177551 180.3
[M+Na-2H]- 317.138366 175.9
[M]+ 296.16315142 168.8
[M]- 296.16424858 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.