CID 318161

54463-81-9

Structural Information

Molecular Formula
C9H10N4
SMILES
CNC1=NNC(=N1)C2=CC=CC=C2
InChI
InChI=1S/C9H10N4/c1-10-9-11-8(12-13-9)7-5-3-2-4-6-7/h2-6H,1H3,(H2,10,11,12,13)
InChIKey
HDQGFUXTGWPEGS-UHFFFAOYSA-N
Compound name
N-methyl-5-phenyl-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

13
Patents

174.09055 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09783 135.5
[M+Na]+ 197.07977 144.0
[M-H]- 173.08327 137.3
[M+NH4]+ 192.12437 152.4
[M+K]+ 213.05371 140.0
[M+H-H2O]+ 157.08781 126.8
[M+HCOO]- 219.08875 158.0
[M+CH3COO]- 233.10440 148.1
[M+Na-2H]- 195.06522 143.1
[M]+ 174.09000 133.0
[M]- 174.09110 133.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe