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]+ 335.15025 178.3
[M+Na]+ 357.13219 184.6
[M-H]- 333.13569 184.7
[M+NH4]+ 352.17679 189.4
[M+K]+ 373.10613 178.4
[M+H-H2O]+ 317.14023 168.1
[M+HCOO]- 379.14117 200.9
[M+CH3COO]- 393.15682 211.4
[M+Na-2H]- 355.11764 181.1
[M]+ 334.14242 177.0
[M]- 334.14352 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.