CID 4638162

476481-98-8

Structural Information

Molecular Formula
C28H48N6O3
SMILES
CCCCCCCCCCCCCCCCN1C2=C(N=C1N3CCC(CC3)C(=O)N)N(C(=O)NC2=O)C
InChI
InChI=1S/C28H48N6O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-34-23-25(32(2)28(37)31-26(23)36)30-27(34)33-20-17-22(18-21-33)24(29)35/h22H,3-21H2,1-2H3,(H2,29,35)(H,31,36,37)
InChIKey
AVNRPRCPPQYJDN-UHFFFAOYSA-N
Compound name
1-(7-hexadecyl-3-methyl-2,6-dioxopurin-8-yl)piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.3788 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.38608 234.3
[M+Na]+ 539.36802 237.8
[M-H]- 515.37152 232.2
[M+NH4]+ 534.41262 235.6
[M+K]+ 555.34196 229.3
[M+H-H2O]+ 499.37606 222.0
[M+HCOO]- 561.37700 243.6
[M+CH3COO]- 575.39265 249.3
[M+Na-2H]- 537.35347 227.5
[M]+ 516.37825 237.6
[M]- 516.37935 237.6
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

No patent data available for this compound.