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]+ 351.14516 181.7
[M+Na]+ 373.12710 188.6
[M-H]- 349.13060 188.5
[M+NH4]+ 368.17170 192.3
[M+K]+ 389.10104 183.2
[M+H-H2O]+ 333.13514 171.5
[M+HCOO]- 395.13608 204.4
[M+CH3COO]- 409.15173 214.9
[M+Na-2H]- 371.11255 183.8
[M]+ 350.13733 182.2
[M]- 350.13843 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.