CID 367134

Nsc636521

Structural Information

Molecular Formula
C16H15NO2
SMILES
CC1(C(=[N+](C2=CC=CC=C2O1)[O-])C3=CC=CC=C3)C
InChI
InChI=1S/C16H15NO2/c1-16(2)15(12-8-4-3-5-9-12)17(18)13-10-6-7-11-14(13)19-16/h3-11H,1-2H3
InChIKey
XGKKIYMSNBLCME-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4-oxido-3-phenyl-1,4-benzoxazin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.11028 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11756 157.6
[M+Na]+ 276.09950 166.4
[M-H]- 252.10300 163.7
[M+NH4]+ 271.14410 174.0
[M+K]+ 292.07344 158.5
[M+H-H2O]+ 236.10754 153.9
[M+HCOO]- 298.10848 176.8
[M+CH3COO]- 312.12413 186.2
[M+Na-2H]- 274.08495 167.5
[M]+ 253.10973 156.3
[M]- 253.11083 156.3
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.