CID 93961

58114-34-4

Structural Information

Molecular Formula
C23H39NO3
SMILES
CCCCCCCCOC(=O)NC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C23H39NO3/c1-8-9-10-11-12-13-14-27-21(26)24-17-15-18(22(2,3)4)20(25)19(16-17)23(5,6)7/h15-16,25H,8-14H2,1-7H3,(H,24,26)
InChIKey
NTTIENRNNNJCHQ-UHFFFAOYSA-N
Compound name
octyl N-(3,5-ditert-butyl-4-hydroxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6280
Patents

377.293 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.300276 199.2
[M+Na]+ 400.282218 203.0
[M-H]- 376.285724 200.6
[M+NH4]+ 395.326823 211.3
[M+K]+ 416.256158 199.7
[M+H-H2O]+ 360.290260 192.6
[M+HCOO]- 422.291201 215.2
[M+CH3COO]- 436.306851 223.6
[M+Na-2H]- 398.267666 198.6
[M]+ 377.29245142 204.4
[M]- 377.29354858 204.4
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

patents stripe