CID 4164696

N-(2-aminoethyl)-2-hydroxy-4-(tetradecyloxy)benzamide

Structural Information

Molecular Formula
C23H40N2O3
SMILES
CCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)NCCN)O
InChI
InChI=1S/C23H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-28-20-14-15-21(22(26)19-20)23(27)25-17-16-24/h14-15,19,26H,2-13,16-18,24H2,1H3,(H,25,27)
InChIKey
QFATXWJCMRBQIF-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-2-hydroxy-4-tetradecoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.3039 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.31118 203.0
[M+Na]+ 415.29312 203.7
[M-H]- 391.29662 202.4
[M+NH4]+ 410.33772 212.9
[M+K]+ 431.26706 198.9
[M+H-H2O]+ 375.30116 193.9
[M+HCOO]- 437.30210 222.5
[M+CH3COO]- 451.31775 228.0
[M+Na-2H]- 413.27857 200.3
[M]+ 392.30335 207.1
[M]- 392.30445 207.1
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.