CID 5277369

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

Structural Information

Molecular Formula
C24H32N6O2
SMILES
CCN(CC)CCCN(C)C1=CC(=NC2=NC(=CN=C12)C3=CC=CC=C3)NC(=O)OCC
InChI
InChI=1S/C24H32N6O2/c1-5-30(6-2)15-11-14-29(4)20-16-21(28-24(31)32-7-3)27-23-22(20)25-17-19(26-23)18-12-9-8-10-13-18/h8-10,12-13,16-17H,5-7,11,14-15H2,1-4H3,(H,26,27,28,31)
InChIKey
KLPRFLKKDORGPE-UHFFFAOYSA-N
Compound name
ethyl N-[8-[3-(diethylamino)propyl-methylamino]-3-phenylpyrido[2,3-b]pyrazin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.25867 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.26595 209.8
[M+Na]+ 459.24789 213.3
[M-H]- 435.25139 215.1
[M+NH4]+ 454.29249 216.2
[M+K]+ 475.22183 209.9
[M+H-H2O]+ 419.25593 196.8
[M+HCOO]- 481.25687 229.9
[M+CH3COO]- 495.27252 245.1
[M+Na-2H]- 457.23334 213.4
[M]+ 436.25812 215.3
[M]- 436.25922 215.3
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.