CID 18212

3035-45-8

Structural Information

Molecular Formula
C8H15N5O
SMILES
CC(C)NC1=NC(=NC(=N1)NC)OC
InChI
InChI=1S/C8H15N5O/c1-5(2)10-7-11-6(9-3)12-8(13-7)14-4/h5H,1-4H3,(H2,9,10,11,12,13)
InChIKey
UDLNDEWOMCYEIA-UHFFFAOYSA-N
Compound name
6-methoxy-4-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

39
Patents

197.12766 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.13494 145.0
[M+Na]+ 220.11688 152.8
[M-H]- 196.12038 145.1
[M+NH4]+ 215.16148 160.1
[M+K]+ 236.09082 151.4
[M+H-H2O]+ 180.12492 136.4
[M+HCOO]- 242.12586 167.2
[M+CH3COO]- 256.14151 191.6
[M+Na-2H]- 218.10233 151.9
[M]+ 197.12711 146.1
[M]- 197.12821 146.1
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.