CID 135571975

303094-77-1

Structural Information

Molecular Formula
C19H18N4O3
SMILES
CC1=C(NN=C1C2=CC=C(C=C2)OC)C(=O)N/N=C/C3=CC=C(C=C3)O
InChI
InChI=1S/C19H18N4O3/c1-12-17(14-5-9-16(26-2)10-6-14)21-22-18(12)19(25)23-20-11-13-3-7-15(24)8-4-13/h3-11,24H,1-2H3,(H,21,22)(H,23,25)/b20-11+
InChIKey
AAKCTJURVRSPNU-RGVLZGJSSA-N
Compound name
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.13788 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.145156 181.7
[M+Na]+ 373.127098 188.6
[M-H]- 349.130604 188.5
[M+NH4]+ 368.171703 192.3
[M+K]+ 389.101038 183.2
[M+H-H2O]+ 333.135140 171.5
[M+HCOO]- 395.136081 204.4
[M+CH3COO]- 409.151731 214.9
[M+Na-2H]- 371.112546 183.8
[M]+ 350.13733142 182.2
[M]- 350.13842858 182.2
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.