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]+ 255.145176 159.4
[M+Na]+ 277.127118 166.3
[M-H]- 253.130624 159.0
[M+NH4]+ 272.171723 172.6
[M+K]+ 293.101058 163.7
[M+H-H2O]+ 237.135160 151.8
[M+HCOO]- 299.136101 179.0
[M+CH3COO]- 313.151751 195.9
[M+Na-2H]- 275.112566 163.9
[M]+ 254.13735142 158.9
[M]- 254.13844858 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.