CID 381559

Nsc668348

Structural Information

Molecular Formula
C14H9N3O
SMILES
C1=CC=C2C(=C1)C(=N)N3C4=CC=CC=C4OC3=N2
InChI
InChI=1S/C14H9N3O/c15-13-9-5-1-2-6-10(9)16-14-17(13)11-7-3-4-8-12(11)18-14/h1-8,15H
InChIKey
SUKJLFABTFOQDA-UHFFFAOYSA-N
Compound name
[1,3]benzoxazolo[2,3-b]quinazolin-12-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.07455 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.08183 146.6
[M+Na]+ 258.06377 160.4
[M-H]- 234.06727 152.7
[M+NH4]+ 253.10837 165.5
[M+K]+ 274.03771 155.2
[M+H-H2O]+ 218.07181 138.7
[M+HCOO]- 280.07275 170.4
[M+CH3COO]- 294.08840 161.1
[M+Na-2H]- 256.04922 159.1
[M]+ 235.07400 151.1
[M]- 235.07510 151.1
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.