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]+ 204.149516 148.4
[M+Na]+ 226.131458 154.4
[M-H]- 202.134964 148.7
[M+NH4]+ 221.176063 162.4
[M+K]+ 242.105398 149.8
[M+H-H2O]+ 186.139500 139.0
[M+HCOO]- 248.140441 165.0
[M+CH3COO]- 262.156091 158.7
[M+Na-2H]- 224.116906 154.4
[M]+ 203.14169142 143.9
[M]- 203.14278858 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.