CID 6866307

305355-77-5

Structural Information

Molecular Formula
C19H18N4O3
SMILES
COC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC(=CC=C3)OC
InChI
InChI=1S/C19H18N4O3/c1-25-15-8-6-14(7-9-15)17-11-18(22-21-17)19(24)23-20-12-13-4-3-5-16(10-13)26-2/h3-12H,1-2H3,(H,21,22)(H,23,24)/b20-12+
InChIKey
LGOAZTVHXDPVOU-UDWIEESQSA-N
Compound name
3-(4-methoxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.13788 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.145156 181.0
[M+Na]+ 373.127098 187.4
[M-H]- 349.130604 188.6
[M+NH4]+ 368.171703 192.0
[M+K]+ 389.101038 182.7
[M+H-H2O]+ 333.135140 170.2
[M+HCOO]- 395.136081 205.2
[M+CH3COO]- 409.151731 215.8
[M+Na-2H]- 371.112546 184.3
[M]+ 350.13733142 182.7
[M]- 350.13842858 182.7
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.