CID 24847205

4h-(1,2,4)triazolo(3,4-c)(1,4)benzoxazine

Structural Information

Molecular Formula
C9H7N3O
SMILES
C1C2=NN=CN2C3=CC=CC=C3O1
InChI
InChI=1S/C9H7N3O/c1-2-4-8-7(3-1)12-6-10-11-9(12)5-13-8/h1-4,6H,5H2
InChIKey
ASUHODRZSUDMNX-UHFFFAOYSA-N
Compound name
4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

173.05891 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.06619 132.3
[M+Na]+ 196.04813 142.7
[M-H]- 172.05163 134.5
[M+NH4]+ 191.09273 151.0
[M+K]+ 212.02207 140.5
[M+H-H2O]+ 156.05617 124.2
[M+HCOO]- 218.05711 151.3
[M+CH3COO]- 232.07276 145.8
[M+Na-2H]- 194.03358 142.5
[M]+ 173.05836 133.0
[M]- 173.05946 133.0
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

patents stripe