CID 89418

21038-20-0

Structural Information

Molecular Formula
C17H19N3
SMILES
C1CN=C(NN1)C(CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H19N3/c1-3-7-14(8-4-1)13-16(15-9-5-2-6-10-15)17-18-11-12-19-20-17/h1-10,16,19H,11-13H2,(H,18,20)
InChIKey
QQZDRBLYFGVUER-UHFFFAOYSA-N
Compound name
3-(1,2-diphenylethyl)-1,2,5,6-tetrahydro-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

265.1579 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.16518 163.2
[M+Na]+ 288.14712 166.5
[M-H]- 264.15062 164.5
[M+NH4]+ 283.19172 172.7
[M+K]+ 304.12106 159.4
[M+H-H2O]+ 248.15516 152.2
[M+HCOO]- 310.15610 176.8
[M+CH3COO]- 324.17175 171.1
[M+Na-2H]- 286.13257 168.4
[M]+ 265.15735 154.8
[M]- 265.15845 154.8
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