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]+ 468.31084 223.4
[M+Na]+ 490.29278 223.9
[M-H]- 466.29628 227.0
[M+NH4]+ 485.33738 230.5
[M+K]+ 506.26672 218.7
[M+H-H2O]+ 450.30082 212.5
[M+HCOO]- 512.30176 242.0
[M+CH3COO]- 526.31741 240.0
[M+Na-2H]- 488.27823 218.9
[M]+ 467.30301 229.4
[M]- 467.30411 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.