CID 155214091

Yap/taz inhibitor-3

Structural Information

Molecular Formula
C21H18F3NO3
SMILES
C[C@H](CO)NC(=O)C1=CC2=C(C=C1)C(=CC=C2)OC3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C21H18F3NO3/c1-13(12-26)25-20(27)15-5-10-18-14(11-15)3-2-4-19(18)28-17-8-6-16(7-9-17)21(22,23)24/h2-11,13,26H,12H2,1H3,(H,25,27)/t13-/m1/s1
InChIKey
FJIVCOAHSKDOAC-CYBMUJFWSA-N
Compound name
N-[(2R)-1-hydroxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

23
Patents

389.12387 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.13115 189.6
[M+Na]+ 412.11309 195.9
[M-H]- 388.11659 191.6
[M+NH4]+ 407.15769 200.7
[M+K]+ 428.08703 190.6
[M+H-H2O]+ 372.12113 178.6
[M+HCOO]- 434.12207 204.6
[M+CH3COO]- 448.13772 220.9
[M+Na-2H]- 410.09854 191.6
[M]+ 389.12332 186.8
[M]- 389.12442 186.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe