CID 9589545

2-furaldehyde, 4-(p-octyloxyphenyl)semicarbazone

Structural Information

Molecular Formula
C20H27N3O3
SMILES
CCCCCCCCOC1=CC=C(C=C1)NC(=O)N/N=C/C2=CC=CO2
InChI
InChI=1S/C20H27N3O3/c1-2-3-4-5-6-7-14-25-18-12-10-17(11-13-18)22-20(24)23-21-16-19-9-8-15-26-19/h8-13,15-16H,2-7,14H2,1H3,(H2,22,23,24)/b21-16+
InChIKey
FSJMAPZHHWWEOY-LTGZKZEYSA-N
Compound name
1-[(E)-furan-2-ylmethylideneamino]-3-(4-octoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.20523 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.212506 188.7
[M+Na]+ 380.194448 191.4
[M-H]- 356.197954 196.2
[M+NH4]+ 375.239053 201.2
[M+K]+ 396.168388 189.1
[M+H-H2O]+ 340.202490 178.9
[M+HCOO]- 402.203431 215.4
[M+CH3COO]- 416.219081 222.0
[M+Na-2H]- 378.179896 191.8
[M]+ 357.20468142 193.2
[M]- 357.20577858 193.2
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.