CID 15955771

Schembl6496686

Structural Information

Molecular Formula
C17H15BrN2O2
SMILES
CC1=C(C=CC2=C1C(=O)OC(=N2)N[C@H](C)C3=CC=CC=C3)Br
InChI
InChI=1S/C17H15BrN2O2/c1-10-13(18)8-9-14-15(10)16(21)22-17(20-14)19-11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,19,20)/t11-/m1/s1
InChIKey
OZFLRCBTZLRNRS-LLVKDONJSA-N
Compound name
6-bromo-5-methyl-2-[[(1R)-1-phenylethyl]amino]-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

358.03168 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.03896 175.4
[M+Na]+ 381.02090 186.9
[M-H]- 357.02440 185.0
[M+NH4]+ 376.06550 190.2
[M+K]+ 396.99484 175.7
[M+H-H2O]+ 341.02894 172.7
[M+HCOO]- 403.02988 194.2
[M+CH3COO]- 417.04553 188.5
[M+Na-2H]- 379.00635 182.4
[M]+ 358.03113 196.1
[M]- 358.03223 196.1
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

patents stripe