CID 3087167

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

Structural Information

Molecular Formula
C19H22N4O
SMILES
CN(C)CCCN1C(=O)CC(=NC2=C1N=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H22N4O/c1-22(2)12-7-13-23-18(24)14-17(15-8-4-3-5-9-15)21-16-10-6-11-20-19(16)23/h3-6,8-11H,7,12-14H2,1-2H3
InChIKey
QYXVHZOMKOPDMJ-UHFFFAOYSA-N
Compound name
5-[3-(dimethylamino)propyl]-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

322.17935 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.18663 178.2
[M+Na]+ 345.16857 190.6
[M+NH4]+ 340.21317 184.6
[M+K]+ 361.14251 184.0
[M-H]- 321.17207 181.8
[M+Na-2H]- 343.15402 185.6
[M]+ 322.17880 181.0
[M]- 322.17990 181.0
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.