CID 59311

102366-81-4

Structural Information

Molecular Formula
C21H34N2O3
SMILES
CC(C)(C)NC(=O)CCC(CC(=O)NC(C)(C)C)OCC1=CC=CC=C1
InChI
InChI=1S/C21H34N2O3/c1-20(2,3)22-18(24)13-12-17(14-19(25)23-21(4,5)6)26-15-16-10-8-7-9-11-16/h7-11,17H,12-15H2,1-6H3,(H,22,24)(H,23,25)
InChIKey
RSBOUKZJWFVNSW-UHFFFAOYSA-N
Compound name
N,N'-ditert-butyl-3-phenylmethoxyhexanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.25696 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.26424 193.0
[M+Na]+ 385.24618 194.2
[M-H]- 361.24968 195.1
[M+NH4]+ 380.29078 204.9
[M+K]+ 401.22012 192.6
[M+H-H2O]+ 345.25422 185.6
[M+HCOO]- 407.25516 210.6
[M+CH3COO]- 421.27081 222.3
[M+Na-2H]- 383.23163 193.9
[M]+ 362.25641 195.4
[M]- 362.25751 195.4
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.