CID 155920173

Propanoyl-4'-phosphopantetheine

Structural Information

Molecular Formula
C14H27N2O8PS
SMILES
CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O
InChI
InChI=1S/C14H27N2O8PS/c1-4-11(18)26-8-7-15-10(17)5-6-16-13(20)12(19)14(2,3)9-24-25(21,22)23/h12,19H,4-9H2,1-3H3,(H,15,17)(H,16,20)(H2,21,22,23)/t12-/m0/s1
InChIKey
OJIOOMFWBNFBLF-LBPRGKRZSA-N
Compound name
S-[2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]ethyl] propanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.1226 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.12988 196.5
[M+Na]+ 437.11182 200.9
[M-H]- 413.11532 199.0
[M+NH4]+ 432.15642 198.9
[M+K]+ 453.08576 194.6
[M+H-H2O]+ 397.11986 184.9
[M+HCOO]- 459.12080 199.2
[M+CH3COO]- 473.13645 220.1
[M+Na-2H]- 435.09727 184.3
[M]+ 414.12205 191.7
[M]- 414.12315 191.7
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

No patent data available for this compound.