CID 5513665

303107-67-7

Structural Information

Molecular Formula
C24H22N4O2
SMILES
CCOC1=CC=CC(=C1)C2=NNC(=C2)C(=O)N/N=C(\C)/C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C24H22N4O2/c1-3-30-19-11-6-10-18(14-19)22-15-23(27-26-22)24(29)28-25-16(2)20-13-7-9-17-8-4-5-12-21(17)20/h4-15H,3H2,1-2H3,(H,26,27)(H,28,29)/b25-16+
InChIKey
ROPXMQXIEORRHC-PCLIKHOPSA-N
Compound name
3-(3-ethoxyphenyl)-N-[(E)-1-naphthalen-1-ylethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.1743 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.18158 195.6
[M+Na]+ 421.16352 201.8
[M-H]- 397.16702 203.9
[M+NH4]+ 416.20812 205.3
[M+K]+ 437.13746 195.3
[M+H-H2O]+ 381.17156 184.3
[M+HCOO]- 443.17250 217.7
[M+CH3COO]- 457.18815 204.6
[M+Na-2H]- 419.14897 199.0
[M]+ 398.17375 197.2
[M]- 398.17485 197.2
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.