CID 89626

22201-92-9

Structural Information

Molecular Formula
C19H23N3O
SMILES
CN1CCN(C(=N1)C(C2=CC=CC=C2)C3=CC=CC=C3)CCO
InChI
InChI=1S/C19H23N3O/c1-21-12-13-22(14-15-23)19(20-21)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3
InChIKey
RIPSUVKCUGYACN-UHFFFAOYSA-N
Compound name
2-(3-benzhydryl-1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1841 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.19138 177.0
[M+Na]+ 332.17332 191.7
[M+NH4]+ 327.21792 184.3
[M+K]+ 348.14726 183.5
[M-H]- 308.17682 181.7
[M+Na-2H]- 330.15877 186.5
[M]+ 309.18355 180.5
[M]- 309.18465 180.5
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.