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]+ 393.311176 203.0
[M+Na]+ 415.293118 203.7
[M-H]- 391.296624 202.4
[M+NH4]+ 410.337723 212.9
[M+K]+ 431.267058 198.9
[M+H-H2O]+ 375.301160 193.9
[M+HCOO]- 437.302101 222.5
[M+CH3COO]- 451.317751 228.0
[M+Na-2H]- 413.278566 200.3
[M]+ 392.30335142 207.1
[M]- 392.30444858 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.