CID 66277333

1518944-61-0

Structural Information

Molecular Formula
C10H11N5O
SMILES
C1C(C2=CC=CC=C2O1)NC3=NNC(=N3)N
InChI
InChI=1S/C10H11N5O/c11-9-13-10(15-14-9)12-7-5-16-8-4-2-1-3-6(7)8/h1-4,7H,5H2,(H4,11,12,13,14,15)
InChIKey
GRINOSYZMRTBQI-UHFFFAOYSA-N
Compound name
3-N-(2,3-dihydro-1-benzofuran-3-yl)-1H-1,2,4-triazole-3,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.09636 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.103636 143.0
[M+Na]+ 240.085578 151.3
[M-H]- 216.089084 146.5
[M+NH4]+ 235.130183 159.2
[M+K]+ 256.059518 148.2
[M+H-H2O]+ 200.093620 134.7
[M+HCOO]- 262.094561 164.1
[M+CH3COO]- 276.110211 155.1
[M+Na-2H]- 238.071026 148.7
[M]+ 217.09581142 140.2
[M]- 217.09690858 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.