CID 24847206

Brn 4501300

Structural Information

Molecular Formula
C15H10ClN3O
SMILES
C1C2=NN=C(N2C3=CC=CC=C3O1)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C15H10ClN3O/c16-11-7-5-10(6-8-11)15-18-17-14-9-20-13-4-2-1-3-12(13)19(14)15/h1-8H,9H2
InChIKey
IAWSEHPLHLZBIK-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.05124 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.05852 162.2
[M+Na]+ 306.04046 173.7
[M-H]- 282.04396 167.4
[M+NH4]+ 301.08506 177.2
[M+K]+ 322.01440 167.9
[M+H-H2O]+ 266.04850 152.5
[M+HCOO]- 328.04944 175.5
[M+CH3COO]- 342.06509 174.1
[M+Na-2H]- 304.02591 168.9
[M]+ 283.05069 165.1
[M]- 283.05179 165.1
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.