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]+ 259.16658 160.7
[M+Na]+ 281.14852 168.4
[M-H]- 257.15202 165.7
[M+NH4]+ 276.19312 175.5
[M+K]+ 297.12246 165.0
[M+H-H2O]+ 241.15656 150.6
[M+HCOO]- 303.15750 186.1
[M+CH3COO]- 317.17315 207.3
[M+Na-2H]- 279.13397 165.5
[M]+ 258.15875 161.4
[M]- 258.15985 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.