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
5
Annotation Hits

59
References

463
Patents

320.13855 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.145826 175.4
[M+Na]+ 343.127768 185.5
[M-H]- 319.131274 183.9
[M+NH4]+ 338.172373 183.1
[M+K]+ 359.101708 178.1
[M+H-H2O]+ 303.135810 166.1
[M+HCOO]- 365.136751 199.4
[M+CH3COO]- 379.152401 185.7
[M+Na-2H]- 341.113216 179.4
[M]+ 320.13800142 176.9
[M]- 320.13909858 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

literature stripe

Patent stripe

patents stripe