CID 129628036

Carboxymethyl isostearamidopropyl morpholine

Structural Information

Molecular Formula
C27H52N2O4
SMILES
CC(C)CCCCCCCCCCCCCCC(=O)NCCCN1CCOCC1CC(=O)O
InChI
InChI=1S/C27H52N2O4/c1-24(2)16-13-11-9-7-5-3-4-6-8-10-12-14-17-26(30)28-18-15-19-29-20-21-33-23-25(29)22-27(31)32/h24-25H,3-23H2,1-2H3,(H,28,30)(H,31,32)
InChIKey
BWUQLWIBVAZYMO-UHFFFAOYSA-N
Compound name
2-[4-[3-(16-methylheptadecanoylamino)propyl]morpholin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

468.3927 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.39998 228.5
[M+Na]+ 491.38192 224.4
[M-H]- 467.38542 225.7
[M+NH4]+ 486.42652 232.5
[M+K]+ 507.35586 221.2
[M+H-H2O]+ 451.38996 218.4
[M+HCOO]- 513.39090 238.2
[M+CH3COO]- 527.40655 240.7
[M+Na-2H]- 489.36737 221.1
[M]+ 468.39215 231.9
[M]- 468.39325 231.9
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