CID 88765

21054-97-7

Structural Information

Molecular Formula
C14H15N3
SMILES
C1CN=C(NN1)CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C14H15N3/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-17-14/h1-7,16H,8-10H2,(H,15,17)
InChIKey
OHSMLUATMZUCHX-UHFFFAOYSA-N
Compound name
3-(naphthalen-1-ylmethyl)-1,2,5,6-tetrahydro-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.1266 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.13388 153.1
[M+Na]+ 248.11582 167.9
[M+NH4]+ 243.16042 161.7
[M+K]+ 264.08976 159.4
[M-H]- 224.11932 156.5
[M+Na-2H]- 246.10127 161.6
[M]+ 225.12605 156.2
[M]- 225.12715 156.2
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.