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 158.6
[M+Na]+ 277.12712 165.8
[M-H]- 253.13062 159.8
[M+NH4]+ 272.17172 172.6
[M+K]+ 293.10106 164.7
[M+H-H2O]+ 237.13516 151.0
[M+HCOO]- 299.13610 178.9
[M+CH3COO]- 313.15175 199.2
[M+Na-2H]- 275.11257 162.6
[M]+ 254.13735 159.4
[M]- 254.13845 159.4
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.