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 152.0
[M+Na]+ 248.11582 158.1
[M-H]- 224.11932 151.8
[M+NH4]+ 243.16042 165.1
[M+K]+ 264.08976 151.2
[M+H-H2O]+ 208.12386 142.4
[M+HCOO]- 270.12480 166.2
[M+CH3COO]- 284.14045 161.4
[M+Na-2H]- 246.10127 159.7
[M]+ 225.12605 145.1
[M]- 225.12715 145.1
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

patents stripe