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]+ 276.14548 163.6
[M+Na]+ 298.12742 171.5
[M-H]- 274.13092 166.3
[M+NH4]+ 293.17202 175.0
[M+K]+ 314.10136 167.7
[M+H-H2O]+ 258.13546 153.2
[M+HCOO]- 320.13640 186.1
[M+CH3COO]- 334.15205 204.2
[M+Na-2H]- 296.11287 170.2
[M]+ 275.13765 165.4
[M]- 275.13875 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.