CID 135642333

306758-89-4

Structural Information

Molecular Formula
C18H16N4O2
SMILES
CC1=C(NN=C1C2=CC=CC=C2)C(=O)N/N=C/C3=CC=CC=C3O
InChI
InChI=1S/C18H16N4O2/c1-12-16(13-7-3-2-4-8-13)20-21-17(12)18(24)22-19-11-14-9-5-6-10-15(14)23/h2-11,23H,1H3,(H,20,21)(H,22,24)/b19-11+
InChIKey
UHBMRKOKYOZWNJ-YBFXNURJSA-N
Compound name
N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.12732 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.134596 174.0
[M+Na]+ 343.116538 180.7
[M-H]- 319.120044 180.6
[M+NH4]+ 338.161143 185.7
[M+K]+ 359.090478 174.7
[M+H-H2O]+ 303.124580 164.0
[M+HCOO]- 365.125521 196.9
[M+CH3COO]- 379.141171 208.4
[M+Na-2H]- 341.101986 177.3
[M]+ 320.12677142 172.3
[M]- 320.12786858 172.3
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.