CID 43134508

5-(naphthalen-2-yl)-1,2,4-triazin-3-amine

Structural Information

Molecular Formula
C13H10N4
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=CN=NC(=N3)N
InChI
InChI=1S/C13H10N4/c14-13-16-12(8-15-17-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H2,14,16,17)
InChIKey
SIJNFZWBLZMXDV-UHFFFAOYSA-N
Compound name
5-naphthalen-2-yl-1,2,4-triazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

222.09055 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09783 149.1
[M+Na]+ 245.07977 158.8
[M-H]- 221.08327 152.5
[M+NH4]+ 240.12437 163.6
[M+K]+ 261.05371 152.9
[M+H-H2O]+ 205.08781 139.2
[M+HCOO]- 267.08875 169.9
[M+CH3COO]- 281.10440 161.0
[M+Na-2H]- 243.06522 159.1
[M]+ 222.09000 147.1
[M]- 222.09110 147.1
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