CID 15956191

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

Structural Information

Molecular Formula
C23H22N4OS
SMILES
CC1=C(C=CC(=C1)N2CCOCC2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=CS5
InChI
InChI=1S/C23H22N4OS/c1-16-13-18(27-8-10-28-11-9-27)5-7-20(16)26-23-19-14-17(22-3-2-12-29-22)4-6-21(19)24-15-25-23/h2-7,12-15H,8-11H2,1H3,(H,24,25,26)
InChIKey
QBPKOEHBIUFKGR-UHFFFAOYSA-N
Compound name
N-(2-methyl-4-morpholin-4-ylphenyl)-6-thiophen-2-ylquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

402.15143 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.15871 193.4
[M+Na]+ 425.14065 201.9
[M-H]- 401.14415 203.7
[M+NH4]+ 420.18525 201.6
[M+K]+ 441.11459 194.9
[M+H-H2O]+ 385.14869 182.4
[M+HCOO]- 447.14963 206.9
[M+CH3COO]- 461.16528 202.4
[M+Na-2H]- 423.12610 195.2
[M]+ 402.15088 193.8
[M]- 402.15198 193.8
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

patents stripe