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
1
Annotation Hits

0
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

No literature data available for this compound.

Patent stripe

patents stripe