CID 507878
Schembl6441411
Structural Information
- Molecular Formula
- C25H26N4O4
- SMILES
- CCNC(=O)C1=CC=CC2=C1NC=C2C(=O)C(=O)N3CCN(C[C@H]3C)C(=O)C4=CC=CC=C4
- InChI
- InChI=1S/C25H26N4O4/c1-3-26-23(31)19-11-7-10-18-20(14-27-21(18)19)22(30)25(33)29-13-12-28(15-16(29)2)24(32)17-8-5-4-6-9-17/h4-11,14,16,27H,3,12-13,15H2,1-2H3,(H,26,31)/t16-/m1/s1
- InChIKey
- GIZMTAWGTQPIOW-MRXNPFEDSA-N
- Compound name
- 3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-N-ethyl-1H-indole-7-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 447.20268 | 206.6 |
[M+Na]+ | 469.18462 | 210.1 |
[M-H]- | 445.18812 | 211.7 |
[M+NH4]+ | 464.22922 | 212.3 |
[M+K]+ | 485.15856 | 204.7 |
[M+H-H2O]+ | 429.19266 | 195.7 |
[M+HCOO]- | 491.19360 | 219.0 |
[M+CH3COO]- | 505.20925 | 231.9 |
[M+Na-2H]- | 467.17007 | 203.2 |
[M]+ | 446.19485 | 204.3 |
[M]- | 446.19595 | 204.3 |
Literature stripe
No literature data available for this compound.