CID 3697937

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

Structural Information

Molecular Formula
C12H10N4
SMILES
C1=CC=C2C(=C1)C=CC=C2C3=NC(=NN3)N
InChI
InChI=1S/C12H10N4/c13-12-14-11(15-16-12)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,13,14,15,16)
InChIKey
RWDMSXRQOHSDKA-UHFFFAOYSA-N
Compound name
5-naphthalen-1-yl-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

210.09055 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09783 143.7
[M+Na]+ 233.07977 154.4
[M-H]- 209.08327 146.7
[M+NH4]+ 228.12437 160.2
[M+K]+ 249.05371 148.2
[M+H-H2O]+ 193.08781 135.0
[M+HCOO]- 255.08875 165.8
[M+CH3COO]- 269.10440 156.4
[M+Na-2H]- 231.06522 152.0
[M]+ 210.09000 142.1
[M]- 210.09110 142.1
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