CID 15955774

Schembl6498547

Structural Information

Molecular Formula
C17H16N2O2
SMILES
CC1=CC2=C(C=C1)N=C(OC2=O)N[C@@H](C)C3=CC=CC=C3
InChI
InChI=1S/C17H16N2O2/c1-11-8-9-15-14(10-11)16(20)21-17(19-15)18-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,18,19)/t12-/m0/s1
InChIKey
BASWJHVYTMVJTC-LBPRGKRZSA-N
Compound name
6-methyl-2-[[(1S)-1-phenylethyl]amino]-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

280.1212 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.12848 164.5
[M+Na]+ 303.11042 173.2
[M-H]- 279.11392 171.9
[M+NH4]+ 298.15502 178.5
[M+K]+ 319.08436 169.7
[M+H-H2O]+ 263.11846 155.4
[M+HCOO]- 325.11940 186.0
[M+CH3COO]- 339.13505 176.5
[M+Na-2H]- 301.09587 171.8
[M]+ 280.12065 166.5
[M]- 280.12175 166.5
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