CID 505108
N,n,2-trimethyl-5-[2-naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzamide
Structural Information
- Molecular Formula
- C28H26N4O3
- SMILES
- CC1=C(C=C(C=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4)C(=O)N(C)C
- InChI
- InChI=1S/C28H26N4O3/c1-19-9-12-23(16-24(19)28(35)31(2)3)32(26(34)17-25(33)27-29-13-6-14-30-27)18-20-10-11-21-7-4-5-8-22(21)15-20/h4-16H,17-18H2,1-3H3
- InChIKey
- SSPOTJDMAPTOEM-UHFFFAOYSA-N
- Compound name
- N,N,2-trimethyl-5-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]benzamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 467.20778 | 214.3 |
[M+Na]+ | 489.18972 | 217.5 |
[M-H]- | 465.19322 | 223.8 |
[M+NH4]+ | 484.23432 | 219.7 |
[M+K]+ | 505.16366 | 213.9 |
[M+H-H2O]+ | 449.19776 | 201.0 |
[M+HCOO]- | 511.19870 | 232.8 |
[M+CH3COO]- | 525.21435 | 247.5 |
[M+Na-2H]- | 487.17517 | 215.3 |
[M]+ | 466.19995 | 217.1 |
[M]- | 466.20105 | 217.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.