CID 12313860

Pantothenamide monoethanolamide

Structural Information

Molecular Formula
C11H22N2O5
SMILES
CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCO)O
InChI
InChI=1S/C11H22N2O5/c1-11(2,7-15)9(17)10(18)13-4-3-8(16)12-5-6-14/h9,14-15,17H,3-7H2,1-2H3,(H,12,16)(H,13,18)/t9-/m0/s1
InChIKey
GHNDUMIFUDKMSF-VIFPVBQESA-N
Compound name
(2R)-2,4-dihydroxy-N-[3-(2-hydroxyethylamino)-3-oxopropyl]-3,3-dimethylbutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

33
Patents

262.15286 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.16014 162.0
[M+Na]+ 285.14208 164.1
[M-H]- 261.14558 157.4
[M+NH4]+ 280.18668 175.6
[M+K]+ 301.11602 163.4
[M+H-H2O]+ 245.15012 156.3
[M+HCOO]- 307.15106 178.6
[M+CH3COO]- 321.16671 195.1
[M+Na-2H]- 283.12753 162.7
[M]+ 262.15231 160.9
[M]- 262.15341 160.9
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

patents stripe