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
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 |