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]+ 457.187026 210.8
[M+Na]+ 479.168968 215.6
[M-H]- 455.172474 218.3
[M+NH4]+ 474.213573 216.0
[M+K]+ 495.142908 210.5
[M+H-H2O]+ 439.177010 197.8
[M+HCOO]- 501.177951 230.0
[M+CH3COO]- 515.193601 237.7
[M+Na-2H]- 477.154416 214.6
[M]+ 456.17920142 213.4
[M]- 456.18029858 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.