CID 5277377

Carbamic acid, [8-[[3-(diethylamino)propyl]methylamino]-2-(4-nitrophenyl)-6-quinoxalinyl]-, ethyl ester

Structural Information

Molecular Formula
C25H32N6O4
SMILES
CCN(CC)CCCN(C)C1=CC(=CC2=NC=C(N=C12)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)OCC
InChI
InChI=1S/C25H32N6O4/c1-5-30(6-2)14-8-13-29(4)23-16-19(27-25(32)35-7-3)15-21-24(23)28-22(17-26-21)18-9-11-20(12-10-18)31(33)34/h9-12,15-17H,5-8,13-14H2,1-4H3,(H,27,32)
InChIKey
MUDZDHIOAAXXIG-UHFFFAOYSA-N
Compound name
ethyl N-[8-[3-(diethylamino)propyl-methylamino]-2-(4-nitrophenyl)quinoxalin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.2485 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.25578 216.4
[M+Na]+ 503.23772 217.7
[M-H]- 479.24122 222.9
[M+NH4]+ 498.28232 221.2
[M+K]+ 519.21166 211.4
[M+H-H2O]+ 463.24576 208.1
[M+HCOO]- 525.24670 238.2
[M+CH3COO]- 539.26235 247.6
[M+Na-2H]- 501.22317 220.9
[M]+ 480.24795 220.2
[M]- 480.24905 220.2
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.