CID 177372
Cam 4750
Structural Information
- Molecular Formula
- C30H30N4O4
- SMILES
- C[C@@H](C1=CC=NC=C1)N(C)C(=O)[C@@](C)(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC5=CC=CC=C5O4
- InChI
- InChI=1S/C30H30N4O4/c1-20(21-12-14-31-15-13-21)34(3)28(35)30(2,17-23-18-32-26-10-6-5-9-25(23)26)33-29(36)37-19-24-16-22-8-4-7-11-27(22)38-24/h4-16,18,20,32H,17,19H2,1-3H3,(H,33,36)/t20-,30+/m0/s1
- InChIKey
- NLTTWNYWDRCTCE-WENCNXQZSA-N
- Compound name
- 1-benzofuran-2-ylmethyl N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-1-oxopropan-2-yl]carbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 511.23398 | 222.0 |
[M+Na]+ | 533.21592 | 225.4 |
[M-H]- | 509.21942 | 232.2 |
[M+NH4]+ | 528.26052 | 228.0 |
[M+K]+ | 549.18986 | 222.8 |
[M+H-H2O]+ | 493.22396 | 212.1 |
[M+HCOO]- | 555.22490 | 239.6 |
[M+CH3COO]- | 569.24055 | 229.1 |
[M+Na-2H]- | 531.20137 | 223.9 |
[M]+ | 510.22615 | 227.7 |
[M]- | 510.22725 | 227.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.