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

11
Patents

173.05891 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.066186 132.3
[M+Na]+ 196.048128 142.7
[M-H]- 172.051634 134.5
[M+NH4]+ 191.092733 151.0
[M+K]+ 212.022068 140.5
[M+H-H2O]+ 156.056170 124.2
[M+HCOO]- 218.057111 151.3
[M+CH3COO]- 232.072761 145.8
[M+Na-2H]- 194.033576 142.5
[M]+ 173.05836142 133.0
[M]- 173.05945858 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