CID 155819779

2470438-09-4

Structural Information

Molecular Formula
C10H17N5O3
SMILES
CC(C)(C)OC(=O)NCC1=NC(=NC(=N1)OC)N
InChI
InChI=1S/C10H17N5O3/c1-10(2,3)18-9(16)12-5-6-13-7(11)15-8(14-6)17-4/h5H2,1-4H3,(H,12,16)(H2,11,13,14,15)
InChIKey
JEKFGDXWAIDRGX-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.13313 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14041 160.0
[M+Na]+ 278.12235 167.6
[M-H]- 254.12585 159.9
[M+NH4]+ 273.16695 172.6
[M+K]+ 294.09629 166.5
[M+H-H2O]+ 238.13039 151.6
[M+HCOO]- 300.13133 180.0
[M+CH3COO]- 314.14698 198.9
[M+Na-2H]- 276.10780 165.8
[M]+ 255.13258 162.2
[M]- 255.13368 162.2
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.