CID 384974

Nsc675804

Structural Information

Molecular Formula
C15H17N3O2
SMILES
CC(C)CCN1C2=CC=CC=C2C3=C(C1=O)C(=O)NN3
InChI
InChI=1S/C15H17N3O2/c1-9(2)7-8-18-11-6-4-3-5-10(11)13-12(15(18)20)14(19)17-16-13/h3-6,9H,7-8H2,1-2H3,(H2,16,17,19)
InChIKey
TWSDHTNMSNCEIY-UHFFFAOYSA-N
Compound name
5-(3-methylbutyl)-1,2-dihydropyrazolo[4,3-c]quinoline-3,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.13208 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.13936 162.6
[M+Na]+ 294.12130 174.0
[M-H]- 270.12480 162.6
[M+NH4]+ 289.16590 178.1
[M+K]+ 310.09524 167.3
[M+H-H2O]+ 254.12934 155.0
[M+HCOO]- 316.13028 179.7
[M+CH3COO]- 330.14593 173.9
[M+Na-2H]- 292.10675 166.9
[M]+ 271.13153 164.7
[M]- 271.13263 164.7
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.