CID 6865516

3-isopropyl-n'-(4-isopropylbenzylidene)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C17H22N4O
SMILES
CC(C)C1=CC=C(C=C1)/C=N/NC(=O)C2=NNC(=C2)C(C)C
InChI
InChI=1S/C17H22N4O/c1-11(2)14-7-5-13(6-8-14)10-18-21-17(22)16-9-15(12(3)4)19-20-16/h5-12H,1-4H3,(H,19,20)(H,21,22)/b18-10+
InChIKey
UUYSUYUPTJNPDE-VCHYOVAHSA-N
Compound name
5-propan-2-yl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.17935 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.18663 173.7
[M+Na]+ 321.16857 178.8
[M-H]- 297.17207 177.9
[M+NH4]+ 316.21317 187.3
[M+K]+ 337.14251 175.0
[M+H-H2O]+ 281.17661 164.4
[M+HCOO]- 343.17755 195.0
[M+CH3COO]- 357.19320 210.1
[M+Na-2H]- 319.15402 173.8
[M]+ 298.17880 173.1
[M]- 298.17990 173.1
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.