CID 135699805

303106-20-9

Structural Information

Molecular Formula
C24H22N4O3
SMILES
CCCOC1=CC=CC=C1C2=NNC(=C2)C(=O)N/N=C/C3=C(C=CC4=CC=CC=C43)O
InChI
InChI=1S/C24H22N4O3/c1-2-13-31-23-10-6-5-9-18(23)20-14-21(27-26-20)24(30)28-25-15-19-17-8-4-3-7-16(17)11-12-22(19)29/h3-12,14-15,29H,2,13H2,1H3,(H,26,27)(H,28,30)/b25-15+
InChIKey
UGDPABVTGKNLEX-MFKUBSTISA-N
Compound name
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-propoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.1692 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.17648 198.1
[M+Na]+ 437.15842 204.8
[M-H]- 413.16192 205.4
[M+NH4]+ 432.20302 206.8
[M+K]+ 453.13236 197.8
[M+H-H2O]+ 397.16646 187.0
[M+HCOO]- 459.16740 219.9
[M+CH3COO]- 473.18305 206.8
[M+Na-2H]- 435.14387 201.7
[M]+ 414.16865 200.2
[M]- 414.16975 200.2
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.