CID 135704686

403650-64-6

Structural Information

Molecular Formula
C19H18N4O2
SMILES
CCC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C\C3=CC=CC=C3O
InChI
InChI=1S/C19H18N4O2/c1-2-13-7-9-14(10-8-13)16-11-17(22-21-16)19(25)23-20-12-15-5-3-4-6-18(15)24/h3-12,24H,2H2,1H3,(H,21,22)(H,23,25)/b20-12-
InChIKey
QBVPRHTZUQRWJQ-NDENLUEZSA-N
Compound name
3-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.14297 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.150246 178.3
[M+Na]+ 357.132188 184.6
[M-H]- 333.135694 184.7
[M+NH4]+ 352.176793 189.4
[M+K]+ 373.106128 178.4
[M+H-H2O]+ 317.140230 168.1
[M+HCOO]- 379.141171 200.9
[M+CH3COO]- 393.156821 211.4
[M+Na-2H]- 355.117636 181.1
[M]+ 334.14242142 177.0
[M]- 334.14351858 177.0
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.