CID 15956187

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

Structural Information

Molecular Formula
C19H16F3IN4O
SMILES
C1COCCN1C2=CC(=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)I)C(F)(F)F
InChI
InChI=1S/C19H16F3IN4O/c20-19(21,22)15-10-13(27-5-7-28-8-6-27)2-4-17(15)26-18-14-9-12(23)1-3-16(14)24-11-25-18/h1-4,9-11H,5-8H2,(H,24,25,26)
InChIKey
DMSUTEQTGXLQLU-UHFFFAOYSA-N
Compound name
6-iodo-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

500.0321 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.03938 194.0
[M+Na]+ 523.02132 194.3
[M-H]- 499.02482 189.1
[M+NH4]+ 518.06592 195.6
[M+K]+ 538.99526 193.7
[M+H-H2O]+ 483.02936 176.0
[M+HCOO]- 545.03030 199.8
[M+CH3COO]- 559.04595 196.9
[M+Na-2H]- 521.00677 187.5
[M]+ 500.03155 184.9
[M]- 500.03265 184.9
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

patents stripe