CID 5480998

Chembl294771

Structural Information

Molecular Formula
C19H21N3O2
SMILES
CC1=C(C=CC2=C1C(=O)OC(=N2)N[C@H](C)C3=CC=CC=C3)N(C)C
InChI
InChI=1S/C19H21N3O2/c1-12-16(22(3)4)11-10-15-17(12)18(23)24-19(21-15)20-13(2)14-8-6-5-7-9-14/h5-11,13H,1-4H3,(H,20,21)/t13-/m1/s1
InChIKey
MMIIFAUWTYKIQS-CYBMUJFWSA-N
Compound name
6-(dimethylamino)-5-methyl-2-[[(1R)-1-phenylethyl]amino]-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1634 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17068 178.8
[M+Na]+ 346.15262 186.6
[M-H]- 322.15612 187.5
[M+NH4]+ 341.19722 191.5
[M+K]+ 362.12656 184.2
[M+H-H2O]+ 306.16066 168.9
[M+HCOO]- 368.16160 200.9
[M+CH3COO]- 382.17725 219.7
[M+Na-2H]- 344.13807 183.9
[M]+ 323.16285 182.3
[M]- 323.16395 182.3
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.