CID 4395990

143269-74-3

Structural Information

Molecular Formula
C23H38ClNO2
SMILES
CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)N
InChI
InChI=1S/C23H38ClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-23(26)20-16-17-21(24)22(25)19-20/h16-17,19H,2-15,18,25H2,1H3
InChIKey
WZPMUDCUMKEHSE-UHFFFAOYSA-N
Compound name
hexadecyl 3-amino-4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

395.2591 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.26638 203.9
[M+Na]+ 418.24832 207.1
[M-H]- 394.25182 204.8
[M+NH4]+ 413.29292 215.9
[M+K]+ 434.22226 200.3
[M+H-H2O]+ 378.25636 196.2
[M+HCOO]- 440.25730 219.3
[M+CH3COO]- 454.27295 226.7
[M+Na-2H]- 416.23377 200.7
[M]+ 395.25855 211.4
[M]- 395.25965 211.4
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

patents stripe