CID 267546
Urea, 1,1'-(1,1,6,6-tetramethylhexamethylene)bis(3-methyl-
Structural Information
- Molecular Formula
- C14H30N4O2
- SMILES
- CC(C)(CCCCC(C)(C)NC(=O)NC)NC(=O)NC
- InChI
- InChI=1S/C14H30N4O2/c1-13(2,17-11(19)15-5)9-7-8-10-14(3,4)18-12(20)16-6/h7-10H2,1-6H3,(H2,15,17,19)(H2,16,18,20)
- InChIKey
- WGZBOMPBERTLSK-UHFFFAOYSA-N
- Compound name
- 1-[2,7-dimethyl-7-(methylcarbamoylamino)octan-2-yl]-3-methylurea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 287.24416 | 173.1 |
[M+Na]+ | 309.22610 | 174.6 |
[M-H]- | 285.22960 | 172.5 |
[M+NH4]+ | 304.27070 | 187.7 |
[M+K]+ | 325.20004 | 174.3 |
[M+H-H2O]+ | 269.23414 | 166.5 |
[M+HCOO]- | 331.23508 | 194.0 |
[M+CH3COO]- | 345.25073 | 213.4 |
[M+Na-2H]- | 307.21155 | 176.2 |
[M]+ | 286.23633 | 172.7 |
[M]- | 286.23743 | 172.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.