CID 15956167

(4-morpholin-4-yl-phenyl)-(6-thiophen-2-yl-quinazolin-4-yl)-amine

Structural Information

Molecular Formula
C22H20N4OS
SMILES
C1COCCN1C2=CC=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=CS5
InChI
InChI=1S/C22H20N4OS/c1-2-21(28-13-1)16-3-8-20-19(14-16)22(24-15-23-20)25-17-4-6-18(7-5-17)26-9-11-27-12-10-26/h1-8,13-15H,9-12H2,(H,23,24,25)
InChIKey
XYGGBCMWTCAFEU-UHFFFAOYSA-N
Compound name
N-(4-morpholin-4-ylphenyl)-6-thiophen-2-ylquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

388.13577 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.14305 187.4
[M+Na]+ 411.12499 195.6
[M-H]- 387.12849 197.6
[M+NH4]+ 406.16959 196.0
[M+K]+ 427.09893 188.8
[M+H-H2O]+ 371.13303 176.6
[M+HCOO]- 433.13397 201.4
[M+CH3COO]- 447.14962 196.7
[M+Na-2H]- 409.11044 190.6
[M]+ 388.13522 187.1
[M]- 388.13632 187.1
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

patents stripe