CID 3087184

4h-pyrido(2,3-b)(1,4)diazepin-4-one, 3,5-dihydro-2-methyl-5-(2-(4-morpholinyl)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C15H20N4O2
SMILES
CC1=NC2=C(N=CC=C2)N(C(=O)C1)CCN3CCOCC3
InChI
InChI=1S/C15H20N4O2/c1-12-11-14(20)19(6-5-18-7-9-21-10-8-18)15-13(17-12)3-2-4-16-15/h2-4H,5-11H2,1H3
InChIKey
RPGMNRSISUGJGV-UHFFFAOYSA-N
Compound name
2-methyl-5-(2-morpholin-4-ylethyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.15863 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16591 168.0
[M+Na]+ 311.14785 173.8
[M-H]- 287.15135 171.0
[M+NH4]+ 306.19245 176.9
[M+K]+ 327.12179 174.4
[M+H-H2O]+ 271.15589 156.0
[M+HCOO]- 333.15683 180.0
[M+CH3COO]- 347.17248 176.7
[M+Na-2H]- 309.13330 172.2
[M]+ 288.15808 163.3
[M]- 288.15918 163.3
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.