CID 54712285
Nsc647413
Structural Information
- Molecular Formula
- C26H31N3O3
- SMILES
- CN(C)/N=C(\CCN1CCCC1)/CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O
- InChI
- InChI=1S/C26H31N3O3/c1-28(2)27-20(14-17-29-15-8-9-16-29)18-22(19-10-4-3-5-11-19)24-25(30)21-12-6-7-13-23(21)32-26(24)31/h3-7,10-13,22,30H,8-9,14-18H2,1-2H3/b27-20+
- InChIKey
- IJVKYQVRLPWEOY-NHFJDJAPSA-N
- Compound name
- 3-[(3Z)-3-(dimethylhydrazinylidene)-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 434.24382 | 207.4 |
[M+Na]+ | 456.22576 | 209.8 |
[M-H]- | 432.22926 | 217.4 |
[M+NH4]+ | 451.27036 | 216.0 |
[M+K]+ | 472.19970 | 206.7 |
[M+H-H2O]+ | 416.23380 | 196.5 |
[M+HCOO]- | 478.23474 | 225.7 |
[M+CH3COO]- | 492.25039 | 237.3 |
[M+Na-2H]- | 454.21121 | 206.4 |
[M]+ | 433.23599 | 208.2 |
[M]- | 433.23709 | 208.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.