CID 60162119

Amp-945

Structural Information

Molecular Formula
C28H32F3N5O2
SMILES
CN1CCC(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)CCC4=CC=CC=C4CC(=O)N)C(F)(F)F)OC
InChI
InChI=1S/C28H32F3N5O2/c1-36-13-11-19(12-14-36)21-8-10-24(25(15-21)38-2)35-27-33-17-22(28(29,30)31)23(34-27)9-7-18-5-3-4-6-20(18)16-26(32)37/h3-6,8,10,15,17,19H,7,9,11-14,16H2,1-2H3,(H2,32,37)(H,33,34,35)
InChIKey
AWJVIOYPZZZYAX-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-methoxy-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

36
Patents

527.2508 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.25808 225.6
[M+Na]+ 550.24002 234.4
[M+NH4]+ 545.28462 227.6
[M+K]+ 566.21396 228.1
[M-H]- 526.24352 227.1
[M+Na-2H]- 548.22547 230.6
[M]+ 527.25025 226.8
[M]- 527.25135 226.8
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