CID 3087168

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

Structural Information

Molecular Formula
C20H22N4O2
SMILES
C1COCCN1CCN2C(=O)CC(=NC3=C2N=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H22N4O2/c25-19-15-18(16-5-2-1-3-6-16)22-17-7-4-8-21-20(17)24(19)10-9-23-11-13-26-14-12-23/h1-8H,9-15H2
InChIKey
QACPGDVVCLEKQH-UHFFFAOYSA-N
Compound name
5-(2-morpholin-4-ylethyl)-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

350.1743 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18158 190.6
[M+Na]+ 373.16352 203.5
[M+NH4]+ 368.20812 196.5
[M+K]+ 389.13746 196.7
[M-H]- 349.16702 195.6
[M+Na-2H]- 371.14897 197.2
[M]+ 350.17375 193.9
[M]- 350.17485 193.9
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.