CID 22950818
Dtxsid50889261
Structural Information
- Molecular Formula
- C27H30N4O2
- SMILES
- C1CCC(CC1)NC(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4
- InChI
- InChI=1S/C27H30N4O2/c32-26(28-22-7-3-1-4-8-22)30-24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)31-27(33)29-23-9-5-2-6-10-23/h1,3-4,7-8,11-18,23H,2,5-6,9-10,19H2,(H2,28,30,32)(H2,29,31,33)
- InChIKey
- MRYQRFJCBJEBOA-UHFFFAOYSA-N
- Compound name
- 1-cyclohexyl-3-[4-[[4-(phenylcarbamoylamino)phenyl]methyl]phenyl]urea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 443.24416 | 203.3 |
[M+Na]+ | 465.22610 | 201.9 |
[M-H]- | 441.22960 | 213.4 |
[M+NH4]+ | 460.27070 | 209.4 |
[M+K]+ | 481.20004 | 196.4 |
[M+H-H2O]+ | 425.23414 | 191.2 |
[M+HCOO]- | 487.23508 | 224.1 |
[M+CH3COO]- | 501.25073 | 238.4 |
[M+Na-2H]- | 463.21155 | 205.5 |
[M]+ | 442.23633 | 195.3 |
[M]- | 442.23743 | 195.3 |
Literature stripe
No literature data available for this compound.