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]+ 286.110546 164.6
[M+Na]+ 308.092488 170.0
[M-H]- 284.095994 166.2
[M+NH4]+ 303.137093 174.6
[M+K]+ 324.066428 161.7
[M+H-H2O]+ 268.100530 154.3
[M+HCOO]- 330.101471 173.9
[M+CH3COO]- 344.117121 172.9
[M+Na-2H]- 306.077936 169.1
[M]+ 285.10272142 158.5
[M]- 285.10381858 158.5
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.