CID 16413853

329058-89-1

Structural Information

Molecular Formula
C11H14N6O
SMILES
CC1=C(C=C(C=C1)NC2=NC(=NN2)/N=C/NO)C
InChI
InChI=1S/C11H14N6O/c1-7-3-4-9(5-8(7)2)14-11-15-10(16-17-11)12-6-13-18/h3-6,18H,1-2H3,(H3,12,13,14,15,16,17)
InChIKey
HGMITDLLYGNSTP-UHFFFAOYSA-N
Compound name
N'-[5-(3,4-dimethylanilino)-1H-1,2,4-triazol-3-yl]-N-hydroxymethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

246.12291 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13019 153.9
[M+Na]+ 269.11213 161.7
[M-H]- 245.11563 156.4
[M+NH4]+ 264.15673 167.7
[M+K]+ 285.08607 157.2
[M+H-H2O]+ 229.12017 144.4
[M+HCOO]- 291.12111 178.1
[M+CH3COO]- 305.13676 197.9
[M+Na-2H]- 267.09758 160.1
[M]+ 246.12236 152.1
[M]- 246.12346 152.1
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