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

20
Patents

210.09055 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.097826 143.7
[M+Na]+ 233.079768 154.4
[M-H]- 209.083274 146.7
[M+NH4]+ 228.124373 160.2
[M+K]+ 249.053708 148.2
[M+H-H2O]+ 193.087810 135.0
[M+HCOO]- 255.088751 165.8
[M+CH3COO]- 269.104401 156.4
[M+Na-2H]- 231.065216 152.0
[M]+ 210.09000142 142.1
[M]- 210.09109858 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