CID 418898

Chembl110168

Structural Information

Molecular Formula
C31H38N6O2
SMILES
CCN(CC)CCCC(C)NC1=CC(=NC2=C1N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)OCC
InChI
InChI=1S/C31H38N6O2/c1-5-37(6-2)20-14-15-22(4)32-25-21-26(34-31(38)39-7-3)33-30-29(25)35-27(23-16-10-8-11-17-23)28(36-30)24-18-12-9-13-19-24/h8-13,16-19,21-22H,5-7,14-15,20H2,1-4H3,(H2,32,33,34,36,38)
InChIKey
ZYNOWIYBJHDAJQ-UHFFFAOYSA-N
Compound name
ethyl N-[8-[5-(diethylamino)pentan-2-ylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

10
Patents

526.3056 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.31288 233.1
[M+Na]+ 549.29482 234.8
[M-H]- 525.29832 239.5
[M+NH4]+ 544.33942 234.5
[M+K]+ 565.26876 228.9
[M+H-H2O]+ 509.30286 218.4
[M+HCOO]- 571.30380 250.2
[M+CH3COO]- 585.31945 260.0
[M+Na-2H]- 547.28027 234.8
[M]+ 526.30505 236.5
[M]- 526.30615 236.5
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.