CID 4177228

N-(5-chloro-m-tolyl)-hexadecylamine

Structural Information

Molecular Formula
C23H40ClN
SMILES
CCCCCCCCCCCCCCCCNC1=CC(=CC(=C1)C)Cl
InChI
InChI=1S/C23H40ClN/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-23-19-21(2)18-22(24)20-23/h18-20,25H,3-17H2,1-2H3
InChIKey
FMAWAVPJKDWTIV-UHFFFAOYSA-N
Compound name
3-chloro-N-hexadecyl-5-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.28494 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.29222 198.2
[M+Na]+ 388.27416 201.4
[M-H]- 364.27766 199.3
[M+NH4]+ 383.31876 211.8
[M+K]+ 404.24810 193.8
[M+H-H2O]+ 348.28220 190.5
[M+HCOO]- 410.28314 214.4
[M+CH3COO]- 424.29879 224.2
[M+Na-2H]- 386.25961 197.0
[M]+ 365.28439 205.1
[M]- 365.28549 205.1
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

patents stripe