CID 23192817

Schembl1720307

Structural Information

Molecular Formula
C23H40N2O2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NCCCCCCN
InChI
InChI=1S/C23H40N2O2/c1-22(2,3)18-15-17(16-19(21(18)27)23(4,5)6)11-12-20(26)25-14-10-8-7-9-13-24/h15-16,27H,7-14,24H2,1-6H3,(H,25,26)
InChIKey
ZZAMUZWGTXZGKY-UHFFFAOYSA-N
Compound name
N-(6-aminohexyl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

591
Patents

376.309 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.316276 200.5
[M+Na]+ 399.298218 203.4
[M-H]- 375.301724 201.3
[M+NH4]+ 394.342823 212.0
[M+K]+ 415.272158 199.3
[M+H-H2O]+ 359.306260 193.6
[M+HCOO]- 421.307201 216.7
[M+CH3COO]- 435.322851 226.9
[M+Na-2H]- 397.283666 199.0
[M]+ 376.30845142 202.5
[M]- 376.30954858 202.5
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