CID 135742497

Mek inhibitor

Structural Information

Molecular Formula
C26H26N4O2
SMILES
CNC(=O)C1=CC2=C(C=C1)C(=C(N2)O)C(=NC3=CC=CC(=C3)CN(C)C)C4=CC=CC=C4
InChI
InChI=1S/C26H26N4O2/c1-27-25(31)19-12-13-21-22(15-19)29-26(32)23(21)24(18-9-5-4-6-10-18)28-20-11-7-8-17(14-20)16-30(2)3/h4-15,29,32H,16H2,1-3H3,(H,27,31)
InChIKey
UPICVLXBXZXYIE-UHFFFAOYSA-N
Compound name
3-[N-[3-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-N-methyl-1H-indole-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

10
Patents

426.20557 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.21285 204.0
[M+Na]+ 449.19479 208.8
[M-H]- 425.19829 213.7
[M+NH4]+ 444.23939 213.8
[M+K]+ 465.16873 203.3
[M+H-H2O]+ 409.20283 193.4
[M+HCOO]- 471.20377 226.8
[M+CH3COO]- 485.21942 237.4
[M+Na-2H]- 447.18024 205.2
[M]+ 426.20502 205.0
[M]- 426.20612 205.0
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

No patent data available for this compound.