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]+ 255.145176 158.6
[M+Na]+ 277.127118 165.8
[M-H]- 253.130624 159.8
[M+NH4]+ 272.171723 172.6
[M+K]+ 293.101058 164.7
[M+H-H2O]+ 237.135160 151.0
[M+HCOO]- 299.136101 178.9
[M+CH3COO]- 313.151751 199.2
[M+Na-2H]- 275.112566 162.6
[M]+ 254.13735142 159.4
[M]- 254.13844858 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.