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]+ 363.18158 187.5
[M+Na]+ 385.16352 192.4
[M-H]- 361.16702 193.6
[M+NH4]+ 380.20812 197.3
[M+K]+ 401.13746 186.5
[M+H-H2O]+ 345.17156 177.0
[M+HCOO]- 407.17250 208.3
[M+CH3COO]- 421.18815 218.2
[M+Na-2H]- 383.14897 188.1
[M]+ 362.17375 186.2
[M]- 362.17485 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.