CID 9632020

(e)-n'-{5-[(3,4-dimethylphenyl)amino]-1h-1,2,4-triazol-3-yl}-n,n-dimethylmethanimidamide

Structural Information

Molecular Formula
C13H18N6
SMILES
CC1=C(C=C(C=C1)NC2=NC(=NN2)/N=C/N(C)C)C
InChI
InChI=1S/C13H18N6/c1-9-5-6-11(7-10(9)2)15-13-16-12(17-18-13)14-8-19(3)4/h5-8H,1-4H3,(H2,15,16,17,18)/b14-8+
InChIKey
SZZVTJNKEUGJEU-RIYZIHGNSA-N
Compound name
N'-[5-(3,4-dimethylanilino)-1H-1,2,4-triazol-3-yl]-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

258.1593 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.166576 160.7
[M+Na]+ 281.148518 168.4
[M-H]- 257.152024 165.7
[M+NH4]+ 276.193123 175.5
[M+K]+ 297.122458 165.0
[M+H-H2O]+ 241.156560 150.6
[M+HCOO]- 303.157501 186.1
[M+CH3COO]- 317.173151 207.3
[M+Na-2H]- 279.133966 165.5
[M]+ 258.15875142 161.4
[M]- 258.15984858 161.4
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.