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

12
References

22
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

literature stripe

Patent stripe

patents stripe