CID 137085268

2031260-98-5

Structural Information

Molecular Formula
C11H18N4O3
SMILES
CC(C)(C)OC(=O)NCC1=CC(=O)NC(=N1)CN
InChI
InChI=1S/C11H18N4O3/c1-11(2,3)18-10(17)13-6-7-4-9(16)15-8(5-12)14-7/h4H,5-6,12H2,1-3H3,(H,13,17)(H,14,15,16)
InChIKey
XAQWWROALKDYIZ-UHFFFAOYSA-N
Compound name
tert-butyl N-[[2-(aminomethyl)-6-oxo-1H-pyrimidin-4-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1379 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14518 159.4
[M+Na]+ 277.12712 166.3
[M-H]- 253.13062 159.0
[M+NH4]+ 272.17172 172.6
[M+K]+ 293.10106 163.7
[M+H-H2O]+ 237.13516 151.8
[M+HCOO]- 299.13610 179.0
[M+CH3COO]- 313.15175 195.9
[M+Na-2H]- 275.11257 163.9
[M]+ 254.13735 158.9
[M]- 254.13845 158.9
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.