CID 3021294

Brn 6004522

Structural Information

Molecular Formula
C29H41NO4
SMILES
CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(=O)C2=CC=CC=C2OC(=O)N
InChI
InChI=1S/C29H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-19-17-20-25(23-24)33-28(31)26-21-15-16-22-27(26)34-29(30)32/h15-17,19-23H,2-14,18H2,1H3,(H2,30,32)
InChIKey
BXHQKJWGFMPOJS-UHFFFAOYSA-N
Compound name
(3-pentadecylphenyl) 2-carbamoyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.30356 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.310836 223.4
[M+Na]+ 490.292778 223.9
[M-H]- 466.296284 227.0
[M+NH4]+ 485.337383 230.5
[M+K]+ 506.266718 218.7
[M+H-H2O]+ 450.300820 212.5
[M+HCOO]- 512.301761 242.0
[M+CH3COO]- 526.317411 240.0
[M+Na-2H]- 488.278226 218.9
[M]+ 467.30301142 229.4
[M]- 467.30410858 229.4
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.