CID 4395990

Hexadecyl 3-amino-4-chlorobenzoate

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

4
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 202.5
[M+Na]+ 418.24832 212.3
[M+NH4]+ 413.29292 208.4
[M+K]+ 434.22226 202.8
[M-H]- 394.25182 204.0
[M+Na-2H]- 416.23377 205.0
[M]+ 395.25855 204.4
[M]- 395.25965 204.4
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