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]+ 323.186626 177.9
[M+Na]+ 345.168568 184.2
[M-H]- 321.172074 183.6
[M+NH4]+ 340.213173 188.7
[M+K]+ 361.142508 184.0
[M+H-H2O]+ 305.176610 166.8
[M+HCOO]- 367.177551 196.3
[M+CH3COO]- 381.193201 187.4
[M+Na-2H]- 343.154016 182.7
[M]+ 322.17880142 176.8
[M]- 322.17989858 176.8
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.