CID 139589822

Serinolamide c

Structural Information

Molecular Formula
C21H41NO3
SMILES
CCCCCCCCCCCCC/C=C(\C)/C(=O)N[C@@H](CO)COC
InChI
InChI=1S/C21H41NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19(2)21(24)22-20(17-23)18-25-3/h16,20,23H,4-15,17-18H2,1-3H3,(H,22,24)/b19-16+/t20-/m0/s1
InChIKey
HATWCTHYSHFBSB-UETJRYKRSA-N
Compound name
(E)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]-2-methylhexadec-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

355.30865 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.31593 199.3
[M+Na]+ 378.29787 198.9
[M-H]- 354.30137 195.5
[M+NH4]+ 373.34247 211.1
[M+K]+ 394.27181 195.6
[M+H-H2O]+ 338.30591 191.7
[M+HCOO]- 400.30685 215.8
[M+CH3COO]- 414.32250 219.7
[M+Na-2H]- 376.28332 194.4
[M]+ 355.30810 204.3
[M]- 355.30920 204.3
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