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]+ 321.13460 174.0
[M+Na]+ 343.11654 180.7
[M-H]- 319.12004 180.6
[M+NH4]+ 338.16114 185.7
[M+K]+ 359.09048 174.7
[M+H-H2O]+ 303.12458 164.0
[M+HCOO]- 365.12552 196.9
[M+CH3COO]- 379.14117 208.4
[M+Na-2H]- 341.10199 177.3
[M]+ 320.12677 172.3
[M]- 320.12787 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.