CID 135454648

Nsc635135

Structural Information

Molecular Formula
C22H40N4O3
SMILES
CCCCCCCCCCCCCCCCC1=C(N=C(NC1=O)NN)C(=O)OC
InChI
InChI=1S/C22H40N4O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21(28)29-2)24-22(26-23)25-20(18)27/h3-17,23H2,1-2H3,(H2,24,25,26,27)
InChIKey
FHPQPNHZJPOIBF-UHFFFAOYSA-N
Compound name
methyl 5-hexadecyl-2-hydrazinyl-6-oxo-1H-pyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.31003 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.31731 205.4
[M+Na]+ 431.29925 207.8
[M-H]- 407.30275 202.8
[M+NH4]+ 426.34385 212.3
[M+K]+ 447.27319 202.3
[M+H-H2O]+ 391.30729 195.1
[M+HCOO]- 453.30823 222.9
[M+CH3COO]- 467.32388 231.0
[M+Na-2H]- 429.28470 203.0
[M]+ 408.30948 209.9
[M]- 408.31058 209.9
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.