CID 135648514

N'-(4-hydroxybenzylidene)-3-(4-isobutylphenyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C21H22N4O2
SMILES
CC(C)CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=C(C=C3)O
InChI
InChI=1S/C21H22N4O2/c1-14(2)11-15-3-7-17(8-4-15)19-12-20(24-23-19)21(27)25-22-13-16-5-9-18(26)10-6-16/h3-10,12-14,26H,11H2,1-2H3,(H,23,24)(H,25,27)/b22-13+
InChIKey
LEWATTXVXGPOHK-LPYMAVHISA-N
Compound name
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1743 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.181576 187.5
[M+Na]+ 385.163518 192.4
[M-H]- 361.167024 193.6
[M+NH4]+ 380.208123 197.3
[M+K]+ 401.137458 186.5
[M+H-H2O]+ 345.171560 177.0
[M+HCOO]- 407.172501 208.3
[M+CH3COO]- 421.188151 218.2
[M+Na-2H]- 383.148966 188.1
[M]+ 362.17375142 186.2
[M]- 362.17484858 186.2
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.