CID 3087166

4h-pyrido(2,3-b)(1,4)diazepin-4-one, 3,5-dihydro-5-(2-(dimethylamino)ethyl)-2-phenyl-

Structural Information

Molecular Formula
C18H20N4O
SMILES
CN(C)CCN1C(=O)CC(=NC2=C1N=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H20N4O/c1-21(2)11-12-22-17(23)13-16(14-7-4-3-5-8-14)20-15-9-6-10-19-18(15)22/h3-10H,11-13H2,1-2H3
InChIKey
BNUGMVGXZOFRSH-UHFFFAOYSA-N
Compound name
5-[2-(dimethylamino)ethyl]-2-phenyl-3H-pyrido[2,3-b][1,4]diazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1637 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.170976 173.6
[M+Na]+ 331.152918 180.3
[M-H]- 307.156424 179.5
[M+NH4]+ 326.197523 184.9
[M+K]+ 347.126858 180.4
[M+H-H2O]+ 291.160960 162.7
[M+HCOO]- 353.161901 192.3
[M+CH3COO]- 367.177551 183.5
[M+Na-2H]- 329.138366 178.9
[M]+ 308.16315142 172.2
[M]- 308.16424858 172.2
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.