CID 370685
Nsc644072
Structural Information
- Molecular Formula
- C25H32N4O3
- SMILES
- CC(=O)NC(CCCN(CC1=CC=CC=C1)C(=O)NCC=C)C(=O)NCC2=CC=CC=C2
- InChI
- InChI=1S/C25H32N4O3/c1-3-16-26-25(32)29(19-22-13-8-5-9-14-22)17-10-15-23(28-20(2)30)24(31)27-18-21-11-6-4-7-12-21/h3-9,11-14,23H,1,10,15-19H2,2H3,(H,26,32)(H,27,31)(H,28,30)
- InChIKey
- JXNKMYSKOOGGAH-UHFFFAOYSA-N
- Compound name
- 2-acetamido-N-benzyl-5-[benzyl(prop-2-enylcarbamoyl)amino]pentanamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 437.25472 | 210.6 |
[M+Na]+ | 459.23666 | 208.8 |
[M-H]- | 435.24016 | 216.3 |
[M+NH4]+ | 454.28126 | 218.0 |
[M+K]+ | 475.21060 | 206.1 |
[M+H-H2O]+ | 419.24470 | 199.5 |
[M+HCOO]- | 481.24564 | 233.1 |
[M+CH3COO]- | 495.26129 | 242.2 |
[M+Na-2H]- | 457.22211 | 209.2 |
[M]+ | 436.24689 | 210.4 |
[M]- | 436.24799 | 210.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.