CID 89630

As-triazine, 1,4,5,6-tetrahydro-1-methyl-3-phenethyl-, hydrochloride

Structural Information

Molecular Formula
C12H17N3
SMILES
CN1CCN=C(N1)CCC2=CC=CC=C2
InChI
InChI=1S/C12H17N3/c1-15-10-9-13-12(14-15)8-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,13,14)
InChIKey
UFRGONAOWLVVHL-UHFFFAOYSA-N
Compound name
1-methyl-3-(2-phenylethyl)-5,6-dihydro-2H-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.14224 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.14952 148.4
[M+Na]+ 226.13146 154.4
[M-H]- 202.13496 148.7
[M+NH4]+ 221.17606 162.4
[M+K]+ 242.10540 149.8
[M+H-H2O]+ 186.13950 139.0
[M+HCOO]- 248.14044 165.0
[M+CH3COO]- 262.15609 158.7
[M+Na-2H]- 224.11691 154.4
[M]+ 203.14169 143.9
[M]- 203.14279 143.9
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.