CID 10424213

N-pentylpantothenamide

Structural Information

Molecular Formula
C14H28N2O4
SMILES
CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O
InChI
InChI=1S/C14H28N2O4/c1-4-5-6-8-15-11(18)7-9-16-13(20)12(19)14(2,3)10-17/h12,17,19H,4-10H2,1-3H3,(H,15,18)(H,16,20)/t12-/m0/s1
InChIKey
HWNKKPMQPCHGBA-LBPRGKRZSA-N
Compound name
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

20
Patents

288.2049 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.21218 173.1
[M+Na]+ 311.19412 174.6
[M-H]- 287.19762 169.4
[M+NH4]+ 306.23872 186.5
[M+K]+ 327.16806 173.4
[M+H-H2O]+ 271.20216 166.9
[M+HCOO]- 333.20310 190.1
[M+CH3COO]- 347.21875 204.1
[M+Na-2H]- 309.17957 172.6
[M]+ 288.20435 173.6
[M]- 288.20545 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

literature stripe

Patent stripe

patents stripe