CID 5277682

Ethyl n-[7-(ethoxycarbonylamino)-2,8-dimethyl-3-phenyl-1,2-dihydroquinoxalin-5-yl]carbamate

Structural Information

Molecular Formula
C22H26N4O4
SMILES
CCOC(=O)NC1=CC(=C2C(=C1C)NC(C(=N2)C3=CC=CC=C3)C)NC(=O)OCC
InChI
InChI=1S/C22H26N4O4/c1-5-29-21(27)24-16-12-17(25-22(28)30-6-2)20-18(13(16)3)23-14(4)19(26-20)15-10-8-7-9-11-15/h7-12,14,23H,5-6H2,1-4H3,(H,24,27)(H,25,28)
InChIKey
RDPSLRZBKWDUHH-UHFFFAOYSA-N
Compound name
ethyl N-[7-(ethoxycarbonylamino)-2,8-dimethyl-3-phenyl-1,2-dihydroquinoxalin-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.1954 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.20268 200.6
[M+Na]+ 433.18462 205.9
[M-H]- 409.18812 204.0
[M+NH4]+ 428.22922 208.3
[M+K]+ 449.15856 201.4
[M+H-H2O]+ 393.19266 190.1
[M+HCOO]- 455.19360 217.4
[M+CH3COO]- 469.20925 229.5
[M+Na-2H]- 431.17007 201.8
[M]+ 410.19485 202.2
[M]- 410.19595 202.2
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.