CID 71587724

Hydroxyethyl pantothenamide monoethanolamide

Structural Information

Molecular Formula
C13H26N2O6
SMILES
CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCOCCO)O
InChI
InChI=1S/C13H26N2O6/c1-13(2,9-17)11(19)12(20)15-4-3-10(18)14-5-7-21-8-6-16/h11,16-17,19H,3-9H2,1-2H3,(H,14,18)(H,15,20)/t11-/m0/s1
InChIKey
DKJIKIKIRAYDAA-NSHDSACASA-N
Compound name
(2R)-2,4-dihydroxy-N-[3-[2-(2-hydroxyethoxy)ethylamino]-3-oxopropyl]-3,3-dimethylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

306.17908 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18636 172.6
[M+Na]+ 329.16830 173.7
[M-H]- 305.17180 167.5
[M+NH4]+ 324.21290 184.3
[M+K]+ 345.14224 173.2
[M+H-H2O]+ 289.17634 166.2
[M+HCOO]- 351.17728 188.8
[M+CH3COO]- 365.19293 203.3
[M+Na-2H]- 327.15375 172.5
[M]+ 306.17853 173.6
[M]- 306.17963 173.6
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