CID 11509361

(6-trifluoromethoxy-quinazolin-4-yl)-(4-morpholin-4-yl-phenyl)-amine

Structural Information

Molecular Formula
C19H17F3N4O2
SMILES
C1COCCN1C2=CC=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)OC(F)(F)F
InChI
InChI=1S/C19H17F3N4O2/c20-19(21,22)28-15-5-6-17-16(11-15)18(24-12-23-17)25-13-1-3-14(4-2-13)26-7-9-27-10-8-26/h1-6,11-12H,7-10H2,(H,23,24,25)
InChIKey
YXOQSQVZQHSVPK-UHFFFAOYSA-N
Compound name
N-(4-morpholin-4-ylphenyl)-6-(trifluoromethoxy)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

390.13037 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.13765 191.3
[M+Na]+ 413.11959 197.8
[M-H]- 389.12309 193.7
[M+NH4]+ 408.16419 196.9
[M+K]+ 429.09353 192.1
[M+H-H2O]+ 373.12763 176.2
[M+HCOO]- 435.12857 201.9
[M+CH3COO]- 449.14422 198.2
[M+Na-2H]- 411.10504 196.9
[M]+ 390.12982 185.4
[M]- 390.13092 185.4
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