CID 14534433

54978-86-8

Structural Information

Molecular Formula
C31H41NO4
SMILES
CCCCCCCCCCCCCCOC1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O
InChI
InChI=1S/C31H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-17-22-36-29-21-16-15-20-27(29)32-31(35)26-23-28(33)24-18-13-14-19-25(24)30(26)34/h13-16,18-21,23,33-34H,2-12,17,22H2,1H3,(H,32,35)
InChIKey
JGXNRUGPJXZKPQ-UHFFFAOYSA-N
Compound name
1,4-dihydroxy-N-(2-tetradecoxyphenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

491.30356 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.31084 229.4
[M+Na]+ 514.29278 240.6
[M+NH4]+ 509.33738 234.4
[M+K]+ 530.26672 230.8
[M-H]- 490.29628 233.1
[M+Na-2H]- 512.27823 233.2
[M]+ 491.30301 231.9
[M]- 491.30411 231.9
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

patents stripe