CID 135642309

305355-67-3

Structural Information

Molecular Formula
C19H18N4O4
SMILES
COC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C19H18N4O4/c1-26-14-6-4-13(5-7-14)15-10-16(22-21-15)19(25)23-20-11-12-3-8-17(24)18(9-12)27-2/h3-11,24H,1-2H3,(H,21,22)(H,23,25)/b20-11+
InChIKey
ROBGEWOTHXNHLL-RGVLZGJSSA-N
Compound name
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.1328 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.14008 183.9
[M+Na]+ 389.12202 190.5
[M-H]- 365.12552 190.7
[M+NH4]+ 384.16662 193.7
[M+K]+ 405.09596 185.9
[M+H-H2O]+ 349.13006 173.5
[M+HCOO]- 411.13100 206.8
[M+CH3COO]- 425.14665 217.2
[M+Na-2H]- 387.10747 186.2
[M]+ 366.13225 185.7
[M]- 366.13335 185.7
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.