CID 89624

Brn 0535872

Structural Information

Molecular Formula
C17H19N3
SMILES
CN1CCN=C(N1)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H19N3/c1-20-13-12-18-17(19-20)16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3,(H,18,19)
InChIKey
CBFSGXPMKBWERQ-UHFFFAOYSA-N
Compound name
3-benzhydryl-1-methyl-5,6-dihydro-2H-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

265.1579 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.16518 164.9
[M+Na]+ 288.14712 180.1
[M+NH4]+ 283.19172 173.1
[M+K]+ 304.12106 171.6
[M-H]- 264.15062 170.1
[M+Na-2H]- 286.13257 175.6
[M]+ 265.15735 168.6
[M]- 265.15845 168.6
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

patents stripe