CID 373877

14595-67-6

Structural Information

Molecular Formula
C14H9N3O
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=NC4=CC=CC=C4O3
InChI
InChI=1S/C14H9N3O/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14/h1-8H,(H,15,16)
InChIKey
IOKQVGHOQCPQNH-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

235.07455 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.08183 147.4
[M+Na]+ 258.06377 160.4
[M-H]- 234.06727 153.2
[M+NH4]+ 253.10837 165.0
[M+K]+ 274.03771 155.4
[M+H-H2O]+ 218.07181 139.6
[M+HCOO]- 280.07275 169.7
[M+CH3COO]- 294.08840 161.3
[M+Na-2H]- 256.04922 155.7
[M]+ 235.07400 151.2
[M]- 235.07510 151.2
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