CID 5277361

Carbamic acid, [8-[[3-(diethylamino)propyl]methylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]-, ethyl ester

Structural Information

Molecular Formula
C30H36N6O2
SMILES
CCN(CC)CCCN(C)C1=CC(=NC2=C1N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)OCC
InChI
InChI=1S/C30H36N6O2/c1-5-36(6-2)20-14-19-35(4)24-21-25(32-30(37)38-7-3)31-29-28(24)33-26(22-15-10-8-11-16-22)27(34-29)23-17-12-9-13-18-23/h8-13,15-18,21H,5-7,14,19-20H2,1-4H3,(H,31,32,34,37)
InChIKey
DKLACONYQGVKFU-UHFFFAOYSA-N
Compound name
ethyl N-[8-[3-(diethylamino)propyl-methylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.29 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.29728 230.1
[M+Na]+ 535.27922 232.6
[M-H]- 511.28272 237.9
[M+NH4]+ 530.32382 232.6
[M+K]+ 551.25316 227.5
[M+H-H2O]+ 495.28726 215.1
[M+HCOO]- 557.28820 248.9
[M+CH3COO]- 571.30385 259.3
[M+Na-2H]- 533.26467 232.4
[M]+ 512.28945 234.8
[M]- 512.29055 234.8
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.