CID 5343132

305354-79-4

Structural Information

Molecular Formula
C15H17ClN4O
SMILES
CC(C)(C)C1=CC(=NN1)C(=O)N/N=C\C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H17ClN4O/c1-15(2,3)13-8-12(18-19-13)14(21)20-17-9-10-4-6-11(16)7-5-10/h4-9H,1-3H3,(H,18,19)(H,20,21)/b17-9-
InChIKey
LARPKMACZZTYGZ-MFOYZWKCSA-N
Compound name
5-tert-butyl-N-[(Z)-(4-chlorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1091 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11638 171.2
[M+Na]+ 327.09832 182.3
[M+NH4]+ 322.14292 177.4
[M+K]+ 343.07226 177.9
[M-H]- 303.10182 173.3
[M+Na-2H]- 325.08377 177.7
[M]+ 304.10855 173.4
[M]- 304.10965 173.4
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.