CID 5277399

Ethyl n-[(3s)-8-amino-3-methyl-2-phenyl-3,4-dihydroquinoxalin-6-yl]carbamate

Structural Information

Molecular Formula
C18H20N4O2
SMILES
CCOC(=O)NC1=CC(=C2C(=C1)N[C@H](C(=N2)C3=CC=CC=C3)C)N
InChI
InChI=1S/C18H20N4O2/c1-3-24-18(23)21-13-9-14(19)17-15(10-13)20-11(2)16(22-17)12-7-5-4-6-8-12/h4-11,20H,3,19H2,1-2H3,(H,21,23)/t11-/m0/s1
InChIKey
LAYGJIOSIARLON-NSHDSACASA-N
Compound name
ethyl N-[(3S)-8-amino-3-methyl-2-phenyl-3,4-dihydroquinoxalin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.15863 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.16591 177.9
[M+Na]+ 347.14785 184.6
[M-H]- 323.15135 181.1
[M+NH4]+ 342.19245 188.9
[M+K]+ 363.12179 178.9
[M+H-H2O]+ 307.15589 168.2
[M+HCOO]- 369.15683 196.1
[M+CH3COO]- 383.17248 212.3
[M+Na-2H]- 345.13330 181.8
[M]+ 324.15808 175.5
[M]- 324.15918 175.5
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

No patent data available for this compound.