CID 6413214

Nsc698035

Structural Information

Molecular Formula
C15H18N4O3
SMILES
CC1=C(N=C(N=N1)N)/C=C/C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C15H18N4O3/c1-9-11(17-15(16)19-18-9)6-5-10-7-12(20-2)14(22-4)13(8-10)21-3/h5-8H,1-4H3,(H2,16,17,19)/b6-5+
InChIKey
UKQMNDGJNYOGOD-AATRIKPKSA-N
Compound name
6-methyl-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,4-triazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.13788 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.14516 172.6
[M+Na]+ 325.12710 182.6
[M-H]- 301.13060 175.8
[M+NH4]+ 320.17170 183.8
[M+K]+ 341.10104 178.5
[M+H-H2O]+ 285.13514 162.5
[M+HCOO]- 347.13608 193.7
[M+CH3COO]- 361.15173 208.3
[M+Na-2H]- 323.11255 175.9
[M]+ 302.13733 177.2
[M]- 302.13843 177.2
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.