CID 15956193

Ethyl-(4-morpholin-4-yl-phenyl)-(6-thiophen-2-yl-quinazolin-4-yl)-amide

Structural Information

Molecular Formula
C25H25N4O2S
SMILES
CCN(C1=CC=C(C=C1)N2CCOCC2)C(=O)[C]3NC4=C(C=C(C=C4)C5=CC=CS5)C=N3
InChI
InChI=1S/C25H25N4O2S/c1-2-29(21-8-6-20(7-9-21)28-11-13-31-14-12-28)25(30)24-26-17-19-16-18(5-10-22(19)27-24)23-4-3-15-32-23/h3-10,15-17H,2,11-14H2,1H3,(H,26,27)
InChIKey
FPACTPVSQVEKRE-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.16983 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.17711 203.4
[M+Na]+ 468.15905 207.2
[M-H]- 444.16255 212.4
[M+NH4]+ 463.20365 208.9
[M+K]+ 484.13299 201.7
[M+H-H2O]+ 428.16709 192.3
[M+HCOO]- 490.16803 211.8
[M+CH3COO]- 504.18368 209.9
[M+Na-2H]- 466.14450 201.8
[M]+ 445.16928 200.9
[M]- 445.17038 200.9
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.