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 173.0
[M+Na]+ 327.09832 180.7
[M-H]- 303.10182 177.4
[M+NH4]+ 322.14292 187.5
[M+K]+ 343.07226 175.0
[M+H-H2O]+ 287.10636 164.7
[M+HCOO]- 349.10730 190.6
[M+CH3COO]- 363.12295 205.7
[M+Na-2H]- 325.08377 176.6
[M]+ 304.10855 174.3
[M]- 304.10965 174.3
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.