CID 6433110

Zoniporide

Structural Information

Molecular Formula
C17H16N6O
SMILES
C1CC1C2=C(C=NN2C3=CC=CC4=C3C=CC=N4)C(=O)N=C(N)N
InChI
InChI=1S/C17H16N6O/c18-17(19)22-16(24)12-9-21-23(15(12)10-6-7-10)14-5-1-4-13-11(14)3-2-8-20-13/h1-5,8-10H,6-7H2,(H4,18,19,22,24)
InChIKey
GDXBRVCQGGKXJY-UHFFFAOYSA-N
Compound name
5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

59
References

459
Patents

320.13855 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14583 175.4
[M+Na]+ 343.12777 185.5
[M-H]- 319.13127 183.9
[M+NH4]+ 338.17237 183.1
[M+K]+ 359.10171 178.1
[M+H-H2O]+ 303.13581 166.1
[M+HCOO]- 365.13675 199.4
[M+CH3COO]- 379.15240 185.7
[M+Na-2H]- 341.11322 179.4
[M]+ 320.13800 176.9
[M]- 320.13910 176.9
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.