CID 135483401

Nsc635410

Structural Information

Molecular Formula
C23H38N4O3
SMILES
CCCCCCCCCCCCCCCCC1=C(N=C(NC1=O)NC#N)C(=O)OC
InChI
InChI=1S/C23H38N4O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20(22(29)30-2)26-23(25-18-24)27-21(19)28/h3-17H2,1-2H3,(H2,25,26,27,28)
InChIKey
ZHBSMQLSYFSJDE-UHFFFAOYSA-N
Compound name
methyl 2-(cyanoamino)-5-hexadecyl-6-oxo-1H-pyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.2944 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.30168 198.0
[M+Na]+ 441.28362 202.2
[M-H]- 417.28712 195.3
[M+NH4]+ 436.32822 203.9
[M+K]+ 457.25756 197.5
[M+H-H2O]+ 401.29166 181.5
[M+HCOO]- 463.29260 211.5
[M+CH3COO]- 477.30825 237.5
[M+Na-2H]- 439.26907 196.2
[M]+ 418.29385 198.4
[M]- 418.29495 198.4
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.