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]+ 261.170976 158.7
[M+Na]+ 283.152918 165.7
[M-H]- 259.156424 161.9
[M+NH4]+ 278.197523 172.5
[M+K]+ 299.126858 167.4
[M+H-H2O]+ 243.160960 149.1
[M+HCOO]- 305.161901 177.5
[M+CH3COO]- 319.177551 205.6
[M+Na-2H]- 281.138366 163.9
[M]+ 260.16315142 158.6
[M]- 260.16424858 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.