CID 90753

Brn 1583875

Structural Information

Molecular Formula
C16H16ClN3
SMILES
C1CN=C(NN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H16ClN3/c17-14-8-6-13(7-9-14)15(12-4-2-1-3-5-12)16-18-10-11-19-20-16/h1-9,15,19H,10-11H2,(H,18,20)
InChIKey
CYVJNUPECIMGIT-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)-phenylmethyl]-1,2,5,6-tetrahydro-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.10327 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11055 167.2
[M+Na]+ 308.09249 182.9
[M+NH4]+ 303.13709 175.4
[M+K]+ 324.06643 174.0
[M-H]- 284.09599 171.9
[M+Na-2H]- 306.07794 177.5
[M]+ 285.10272 171.1
[M]- 285.10382 171.1
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.