CID 56597771

Serinolamide a

Structural Information

Molecular Formula
C23H45NO3
SMILES
CCCCCCCCCCCCC/C=C/CCC(=O)N(C)[C@H](CO)COC
InChI
InChI=1S/C23H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)24(2)22(20-25)21-27-3/h16-17,22,25H,4-15,18-21H2,1-3H3/b17-16+/t22-/m1/s1
InChIKey
CJAVPRNATZCNLN-NBRGKURFSA-N
Compound name
(E)-N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-N-methyloctadec-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

383.33994 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.34722 208.1
[M+Na]+ 406.32916 207.3
[M-H]- 382.33266 205.3
[M+NH4]+ 401.37376 218.0
[M+K]+ 422.30310 204.3
[M+H-H2O]+ 366.33720 199.9
[M+HCOO]- 428.33814 222.2
[M+CH3COO]- 442.35379 228.1
[M+Na-2H]- 404.31461 202.6
[M]+ 383.33939 215.7
[M]- 383.34049 215.7
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