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]+ 399.181576 195.6
[M+Na]+ 421.163518 201.8
[M-H]- 397.167024 203.9
[M+NH4]+ 416.208123 205.3
[M+K]+ 437.137458 195.3
[M+H-H2O]+ 381.171560 184.3
[M+HCOO]- 443.172501 217.7
[M+CH3COO]- 457.188151 204.6
[M+Na-2H]- 419.148966 199.0
[M]+ 398.17375142 197.2
[M]- 398.17484858 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.