CID 3087163

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

Structural Information

Molecular Formula
C14H20N4O
SMILES
CC1=NC2=C(N=CC=C2)N(C(=O)C1)CCCN(C)C
InChI
InChI=1S/C14H20N4O/c1-11-10-13(19)18(9-5-8-17(2)3)14-12(16-11)6-4-7-15-14/h4,6-7H,5,8-10H2,1-3H3
InChIKey
PDIZLELWUQOJDY-UHFFFAOYSA-N
Compound name
5-[3-(dimethylamino)propyl]-2-methyl-3H-pyrido[2,3-b][1,4]diazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1637 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.17098 158.7
[M+Na]+ 283.15292 165.7
[M-H]- 259.15642 161.9
[M+NH4]+ 278.19752 172.5
[M+K]+ 299.12686 167.4
[M+H-H2O]+ 243.16096 149.1
[M+HCOO]- 305.16190 177.5
[M+CH3COO]- 319.17755 205.6
[M+Na-2H]- 281.13837 163.9
[M]+ 260.16315 158.6
[M]- 260.16425 158.6
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.