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]+ 289.165906 168.0
[M+Na]+ 311.147848 173.8
[M-H]- 287.151354 171.0
[M+NH4]+ 306.192453 176.9
[M+K]+ 327.121788 174.4
[M+H-H2O]+ 271.155890 156.0
[M+HCOO]- 333.156831 180.0
[M+CH3COO]- 347.172481 176.7
[M+Na-2H]- 309.133296 172.2
[M]+ 288.15808142 163.3
[M]- 288.15917858 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.