CID 88760

21038-19-7

Structural Information

Molecular Formula
C16H17N3
SMILES
C1CN=C(NN1)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H17N3/c1-3-7-13(8-4-1)15(14-9-5-2-6-10-14)16-17-11-12-18-19-16/h1-10,15,18H,11-12H2,(H,17,19)
InChIKey
IGKMVYTZFRGNPA-UHFFFAOYSA-N
Compound name
3-benzhydryl-1,2,5,6-tetrahydro-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.14224 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.14952 160.9
[M+Na]+ 274.13146 175.5
[M+NH4]+ 269.17606 168.9
[M+K]+ 290.10540 167.3
[M-H]- 250.13496 165.6
[M+Na-2H]- 272.11691 171.5
[M]+ 251.14169 164.3
[M]- 251.14279 164.3
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.