CID 5277378

Carbamic acid, (2,3-diphenyl-5,7-quinoxalinediyl)bis-, diethyl ester

Structural Information

Molecular Formula
C26H24N4O4
SMILES
CCOC(=O)NC1=CC2=C(C(=C1)NC(=O)OCC)N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H24N4O4/c1-3-33-25(31)27-19-15-20-24(21(16-19)29-26(32)34-4-2)30-23(18-13-9-6-10-14-18)22(28-20)17-11-7-5-8-12-17/h5-16H,3-4H2,1-2H3,(H,27,31)(H,29,32)
InChIKey
WJFNHGXGKFSZHX-UHFFFAOYSA-N
Compound name
ethyl N-[7-(ethoxycarbonylamino)-2,3-diphenylquinoxalin-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.17975 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.18703 210.8
[M+Na]+ 479.16897 215.6
[M-H]- 455.17247 218.3
[M+NH4]+ 474.21357 216.0
[M+K]+ 495.14291 210.5
[M+H-H2O]+ 439.17701 197.8
[M+HCOO]- 501.17795 230.0
[M+CH3COO]- 515.19360 237.7
[M+Na-2H]- 477.15442 214.6
[M]+ 456.17920 213.4
[M]- 456.18030 213.4
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.