CID 24847212

Brn 4491812

Structural Information

Molecular Formula
C16H13N3O
SMILES
CC1=CC=C(C=C1)C2=NN=C3N2C4=CC=CC=C4OC3
InChI
InChI=1S/C16H13N3O/c1-11-6-8-12(9-7-11)16-18-17-15-10-20-14-5-3-2-4-13(14)19(15)16/h2-9H,10H2,1H3
InChIKey
WAMJHSBZDYXZQN-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-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

263.10587 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.11315 159.8
[M+Na]+ 286.09509 176.9
[M+NH4]+ 281.13969 169.2
[M+K]+ 302.06903 170.3
[M-H]- 262.09859 165.6
[M+Na-2H]- 284.08054 167.8
[M]+ 263.10532 164.1
[M]- 263.10642 164.1
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.