CID 477643

2-methyl-4-methylamino-5-p-tolyl-2,4-dihydro-[1,2,4]triazol-3-one

Structural Information

Molecular Formula
C11H14N4O
SMILES
CC1=CC=C(C=C1)C2=NN(C(=O)N2NC)C
InChI
InChI=1S/C11H14N4O/c1-8-4-6-9(7-5-8)10-13-14(3)11(16)15(10)12-2/h4-7,12H,1-3H3
InChIKey
OVQLMAWRZGXIAG-UHFFFAOYSA-N
Compound name
2-methyl-4-(methylamino)-5-(4-methylphenyl)-1,2,4-triazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

218.11676 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.12404 147.8
[M+Na]+ 241.10598 158.8
[M-H]- 217.10948 151.9
[M+NH4]+ 236.15058 164.5
[M+K]+ 257.07992 155.1
[M+H-H2O]+ 201.11402 139.2
[M+HCOO]- 263.11496 171.4
[M+CH3COO]- 277.13061 191.9
[M+Na-2H]- 239.09143 152.4
[M]+ 218.11621 149.8
[M]- 218.11731 149.8
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

No patent data available for this compound.