CID 135628862

302918-11-2

Structural Information

Molecular Formula
C28H22N4O3
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)N/N=C/C4=C(C=CC5=CC=CC=C54)O
InChI
InChI=1S/C28H22N4O3/c33-27-15-12-20-8-4-5-9-23(20)24(27)17-29-32-28(34)26-16-25(30-31-26)21-10-13-22(14-11-21)35-18-19-6-2-1-3-7-19/h1-17,33H,18H2,(H,30,31)(H,32,34)/b29-17+
InChIKey
CDQBHEWBJOJQCR-STBIYBPSSA-N
Compound name
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.1692 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.17648 208.4
[M+Na]+ 485.15842 214.3
[M-H]- 461.16192 218.5
[M+NH4]+ 480.20302 214.3
[M+K]+ 501.13236 206.4
[M+H-H2O]+ 445.16646 195.9
[M+HCOO]- 507.16740 229.7
[M+CH3COO]- 521.18305 216.1
[M+Na-2H]- 483.14387 212.4
[M]+ 462.16865 209.1
[M]- 462.16975 209.1
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.