CID 205687
18471-34-6
Structural Information
- Molecular Formula
- C14H21N3O4
- SMILES
- COC1=CC(=CC(=C1OC)OC)NC(=O)NC2CCNC2
- InChI
- InChI=1S/C14H21N3O4/c1-19-11-6-10(7-12(20-2)13(11)21-3)17-14(18)16-9-4-5-15-8-9/h6-7,9,15H,4-5,8H2,1-3H3,(H2,16,17,18)
- InChIKey
- KHQVZQWUQCNGNN-UHFFFAOYSA-N
- Compound name
- 1-pyrrolidin-3-yl-3-(3,4,5-trimethoxyphenyl)urea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 296.16048 | 166.6 |
[M+Na]+ | 318.14242 | 171.1 |
[M-H]- | 294.14592 | 170.5 |
[M+NH4]+ | 313.18702 | 181.0 |
[M+K]+ | 334.11636 | 169.2 |
[M+H-H2O]+ | 278.15046 | 158.3 |
[M+HCOO]- | 340.15140 | 188.1 |
[M+CH3COO]- | 354.16705 | 203.6 |
[M+Na-2H]- | 316.12787 | 167.8 |
[M]+ | 295.15265 | 166.2 |
[M]- | 295.15375 | 166.2 |
Literature stripe
No literature data available for this compound.