CID 89418

3-(1,2-diphenylethyl)-1,4,5,6-tetrahydro-1,2,4-triazine

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

13
Patents

265.1579 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.165176 163.2
[M+Na]+ 288.147118 166.5
[M-H]- 264.150624 164.5
[M+NH4]+ 283.191723 172.7
[M+K]+ 304.121058 159.4
[M+H-H2O]+ 248.155160 152.2
[M+HCOO]- 310.156101 176.8
[M+CH3COO]- 324.171751 171.1
[M+Na-2H]- 286.132566 168.4
[M]+ 265.15735142 154.8
[M]- 265.15844858 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