CID 4122428

4-(hexadecylamino)benzylamine

Structural Information

Molecular Formula
C23H42N2
SMILES
CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)CN
InChI
InChI=1S/C23H42N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-23-18-16-22(21-24)17-19-23/h16-19,25H,2-15,20-21,24H2,1H3
InChIKey
MMENAVHICGTNAT-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-N-hexadecylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

346.3348 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.34208 194.1
[M+Na]+ 369.32402 194.7
[M-H]- 345.32752 194.6
[M+NH4]+ 364.36862 206.7
[M+K]+ 385.29796 188.8
[M+H-H2O]+ 329.33206 185.1
[M+HCOO]- 391.33300 215.3
[M+CH3COO]- 405.34865 223.8
[M+Na-2H]- 367.30947 193.7
[M]+ 346.33425 197.0
[M]- 346.33535 197.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe