CID 165737640

2803856-51-9

Structural Information

Molecular Formula
C11H18N4O3
SMILES
CC(C)(C)OC(=O)N(C)CC1=CC(=O)NC(=N1)N
InChI
InChI=1S/C11H18N4O3/c1-11(2,3)18-10(17)15(4)6-7-5-8(16)14-9(12)13-7/h5H,6H2,1-4H3,(H3,12,13,14,16)
InChIKey
OCIORLUICOCKFL-UHFFFAOYSA-N
Compound name
tert-butyl N-[(2-amino-6-oxo-1H-pyrimidin-4-yl)methyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1379 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14518 157.2
[M+Na]+ 277.12712 165.7
[M+NH4]+ 272.17172 161.4
[M+K]+ 293.10106 163.6
[M-H]- 253.13062 156.1
[M+Na-2H]- 275.11257 160.5
[M]+ 254.13735 157.6
[M]- 254.13845 157.6
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.