CID 6877818

3-isopropyl-n'-(2,4,5-trimethoxybenzylidene)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C17H22N4O4
SMILES
CC(C)C1=CC(=NN1)C(=O)N/N=C/C2=CC(=C(C=C2OC)OC)OC
InChI
InChI=1S/C17H22N4O4/c1-10(2)12-7-13(20-19-12)17(22)21-18-9-11-6-15(24-4)16(25-5)8-14(11)23-3/h6-10H,1-5H3,(H,19,20)(H,21,22)/b18-9+
InChIKey
HRNWYLVKVYXYNG-GIJQJNRQSA-N
Compound name
5-propan-2-yl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.1641 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.17138 181.4
[M+Na]+ 369.15332 187.9
[M-H]- 345.15682 186.2
[M+NH4]+ 364.19792 193.4
[M+K]+ 385.12726 185.6
[M+H-H2O]+ 329.16136 172.0
[M+HCOO]- 391.16230 204.2
[M+CH3COO]- 405.17795 218.2
[M+Na-2H]- 367.13877 181.6
[M]+ 346.16355 186.3
[M]- 346.16465 186.3
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.