CID 34246

R 948

Structural Information

Molecular Formula
C23H39NO2
SMILES
CCCCCCN(CCCCCC)C(=O)OC1=CC=CC(=C1)C(C)(C)C
InChI
InChI=1S/C23H39NO2/c1-6-8-10-12-17-24(18-13-11-9-7-2)22(25)26-21-16-14-15-20(19-21)23(3,4)5/h14-16,19H,6-13,17-18H2,1-5H3
InChIKey
DQNZWMRPRVZFCM-UHFFFAOYSA-N
Compound name
(3-tert-butylphenyl) N,N-dihexylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.29807 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.305346 197.9
[M+Na]+ 384.287288 200.2
[M-H]- 360.290794 201.1
[M+NH4]+ 379.331893 211.4
[M+K]+ 400.261228 197.7
[M+H-H2O]+ 344.295330 189.8
[M+HCOO]- 406.296271 217.4
[M+CH3COO]- 420.311921 225.1
[M+Na-2H]- 382.272736 197.0
[M]+ 361.29752142 204.7
[M]- 361.29861858 204.7
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.