CID 462762

2-hexadecanoyloxyethyl-dimethyl-[2-[(5-methyl-2,4-dioxo-pyrimidin-1-yl)methoxy]ethyl]ammonium

Structural Information

Molecular Formula
C28H52N3O5
SMILES
CCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOCN1C=C(C(=O)NC1=O)C
InChI
InChI=1S/C28H51N3O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(32)36-22-20-31(3,4)19-21-35-24-30-23-25(2)27(33)29-28(30)34/h23H,5-22,24H2,1-4H3/p+1
InChIKey
AILZZRXOTFJERC-UHFFFAOYSA-O
Compound name
2-hexadecanoyloxyethyl-dimethyl-[2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

510.3907 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.39798 232.2
[M+Na]+ 533.37992 233.4
[M-H]- 509.38342 230.9
[M+NH4]+ 528.42452 229.5
[M+K]+ 549.35386 223.0
[M+H-H2O]+ 493.38796 224.2
[M+HCOO]- 555.38890 246.4
[M+CH3COO]- 569.40455 242.3
[M+Na-2H]- 531.36537 232.0
[M]+ 510.39015 242.1
[M]- 510.39125 242.1
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.