CID 4928

Prometon

Structural Information

Molecular Formula
C10H19N5O
SMILES
CC(C)NC1=NC(=NC(=N1)OC)NC(C)C
InChI
InChI=1S/C10H19N5O/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)
InChIKey
ISEUFVQQFVOBCY-UHFFFAOYSA-N
Compound name
6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

55
References

19348
Patents

225.15897 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.16625 154.2
[M+Na]+ 248.14819 160.9
[M-H]- 224.15169 154.1
[M+NH4]+ 243.19279 168.1
[M+K]+ 264.12213 159.5
[M+H-H2O]+ 208.15623 145.4
[M+HCOO]- 270.15717 174.8
[M+CH3COO]- 284.17282 198.5
[M+Na-2H]- 246.13364 158.9
[M]+ 225.15842 155.5
[M]- 225.15952 155.5
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.