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 176.4
[M+Na]+ 332.17332 181.1
[M-H]- 308.17682 179.6
[M+NH4]+ 327.21792 185.4
[M+K]+ 348.14726 175.0
[M+H-H2O]+ 292.18136 164.9
[M+HCOO]- 354.18230 191.0
[M+CH3COO]- 368.19795 184.7
[M+Na-2H]- 330.15877 179.3
[M]+ 309.18355 172.7
[M]- 309.18465 172.7
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