CID 15956188

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

Structural Information

Molecular Formula
C23H19F3N4OS
SMILES
C1COCCN1C2=CC(=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=CS5)C(F)(F)F
InChI
InChI=1S/C23H19F3N4OS/c24-23(25,26)18-13-16(30-7-9-31-10-8-30)4-6-20(18)29-22-17-12-15(21-2-1-11-32-21)3-5-19(17)27-14-28-22/h1-6,11-14H,7-10H2,(H,27,28,29)
InChIKey
TWYADFUSFWDQIX-UHFFFAOYSA-N
Compound name
N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-6-thiophen-2-ylquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

456.12317 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.13045 203.2
[M+Na]+ 479.11239 212.2
[M-H]- 455.11589 209.8
[M+NH4]+ 474.15699 209.2
[M+K]+ 495.08633 204.3
[M+H-H2O]+ 439.12043 189.9
[M+HCOO]- 501.12137 211.9
[M+CH3COO]- 515.13702 210.6
[M+Na-2H]- 477.09784 204.4
[M]+ 456.12262 200.4
[M]- 456.12372 200.4
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