CID 5403039

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

Structural Information

Molecular Formula
C15H18N4O
SMILES
CC(C)C1=CC(=NN1)C(=O)N/N=C(\C)/C2=CC=CC=C2
InChI
InChI=1S/C15H18N4O/c1-10(2)13-9-14(18-17-13)15(20)19-16-11(3)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,17,18)(H,19,20)/b16-11+
InChIKey
NLFZDJHJEDTVJV-LFIBNONCSA-N
Compound name
N-[(E)-1-phenylethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.14807 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.15535 164.6
[M+Na]+ 293.13729 169.6
[M-H]- 269.14079 168.7
[M+NH4]+ 288.18189 179.0
[M+K]+ 309.11123 166.2
[M+H-H2O]+ 253.14533 155.3
[M+HCOO]- 315.14627 186.5
[M+CH3COO]- 329.16192 202.9
[M+Na-2H]- 291.12274 166.4
[M]+ 270.14752 162.8
[M]- 270.14862 162.8
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.