CID 738531

332026-86-5

Structural Information

Molecular Formula
C9H7N5O
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=NON=C3N
InChI
InChI=1S/C9H7N5O/c10-8-7(13-15-14-8)9-11-5-3-1-2-4-6(5)12-9/h1-4H,(H2,10,14)(H,11,12)
InChIKey
QEPDSNAEMKSMGN-UHFFFAOYSA-N
Compound name
4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

53
Patents

201.06506 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.07234 138.5
[M+Na]+ 224.05428 150.3
[M-H]- 200.05778 141.5
[M+NH4]+ 219.09888 154.5
[M+K]+ 240.02822 146.8
[M+H-H2O]+ 184.06232 130.1
[M+HCOO]- 246.06326 160.3
[M+CH3COO]- 260.07891 151.8
[M+Na-2H]- 222.03973 145.5
[M]+ 201.06451 139.3
[M]- 201.06561 139.3
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