CID 135908261

1-{[(1e)-(3-hydroxy-2-methyl-5-{[(trihydroxy-lambda^5^-phosphanyl)oxy]methyl}pyridin-4-yl)methylidene]amino}undecan-2-one

Structural Information

Molecular Formula
C19H32N2O6P
SMILES
CCCCCCCCCC(=O)CN=CC1=C(C(=NC=C1CO[P+](O)(O)O)C)O
InChI
InChI=1S/C19H31N2O6P/c1-3-4-5-6-7-8-9-10-17(22)12-20-13-18-16(14-27-28(24,25)26)11-21-15(2)19(18)23/h11,13,24-26H,3-10,12,14H2,1-2H3/p+1
InChIKey
AREBROFQZMNIOE-UHFFFAOYSA-O
Compound name
trihydroxy-[[5-hydroxy-6-methyl-4-(2-oxoundecyliminomethyl)pyridin-3-yl]methoxy]phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.1998 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.20708 203.9
[M+Na]+ 438.18902 206.4
[M-H]- 414.19252 200.4
[M+NH4]+ 433.23362 194.2
[M+K]+ 454.16296 197.6
[M+H-H2O]+ 398.19706 196.3
[M+HCOO]- 460.19800 223.9
[M+CH3COO]- 474.21365 216.0
[M+Na-2H]- 436.17447 203.8
[M]+ 415.19925 208.2
[M]- 415.20035 208.2
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

No patent data available for this compound.