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

17984
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

literature stripe

Patent stripe

patents stripe