CID 5129457

4-aminophenyl pentadecyl ketone

Structural Information

Molecular Formula
C22H37NO
SMILES
CCCCCCCCCCCCCCCC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C22H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(24)20-16-18-21(23)19-17-20/h16-19H,2-15,23H2,1H3
InChIKey
YTPKATBWHPBWGT-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)hexadecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.2875 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.29478 190.1
[M+Na]+ 354.27672 191.9
[M-H]- 330.28022 190.9
[M+NH4]+ 349.32132 203.4
[M+K]+ 370.25066 186.7
[M+H-H2O]+ 314.28476 181.7
[M+HCOO]- 376.28570 210.0
[M+CH3COO]- 390.30135 217.8
[M+Na-2H]- 352.26217 188.4
[M]+ 331.28695 193.3
[M]- 331.28805 193.3
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.