CID 199387

2-homoveratrylamino-6-aminotriazine

Structural Information

Molecular Formula
C13H17N5O2
SMILES
COC1=C(C=C(C=C1)CCNC2=NC=NC(=N2)N)OC
InChI
InChI=1S/C13H17N5O2/c1-19-10-4-3-9(7-11(10)20-2)5-6-15-13-17-8-16-12(14)18-13/h3-4,7-8H,5-6H2,1-2H3,(H3,14,15,16,17,18)
InChIKey
FZDACSDOZMWXMC-UHFFFAOYSA-N
Compound name
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1382 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.145476 163.6
[M+Na]+ 298.127418 171.5
[M-H]- 274.130924 166.3
[M+NH4]+ 293.172023 175.0
[M+K]+ 314.101358 167.7
[M+H-H2O]+ 258.135460 153.2
[M+HCOO]- 320.136401 186.1
[M+CH3COO]- 334.152051 204.2
[M+Na-2H]- 296.112866 170.2
[M]+ 275.13765142 165.4
[M]- 275.13874858 165.4
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.