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 186.6
[M+Na]+ 373.16352 191.6
[M-H]- 349.16702 192.0
[M+NH4]+ 368.20812 192.3
[M+K]+ 389.13746 190.4
[M+H-H2O]+ 333.17156 173.1
[M+HCOO]- 395.17250 198.0
[M+CH3COO]- 409.18815 193.8
[M+Na-2H]- 371.14897 190.1
[M]+ 350.17375 180.7
[M]- 350.17485 180.7
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.