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 164.6
[M+Na]+ 308.09249 170.0
[M-H]- 284.09599 166.2
[M+NH4]+ 303.13709 174.6
[M+K]+ 324.06643 161.7
[M+H-H2O]+ 268.10053 154.3
[M+HCOO]- 330.10147 173.9
[M+CH3COO]- 344.11712 172.9
[M+Na-2H]- 306.07794 169.1
[M]+ 285.10272 158.5
[M]- 285.10382 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.