CID 443722
Sanguinine
Structural Information
- Molecular Formula
- C16H19NO3
- SMILES
- CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)O)O
- InChI
- InChI=1S/C16H19NO3/c1-17-7-6-16-5-4-11(18)8-13(16)20-15-12(19)3-2-10(9-17)14(15)16/h2-5,11,13,18-19H,6-9H2,1H3/t11-,13-,16-/m0/s1
- InChIKey
- OYSGWKOGUVOGFQ-RBOXIYTFSA-N
- Compound name
- (1S,12S,14R)-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-9,14-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 274.14378 | 163.0 |
[M+Na]+ | 296.12572 | 169.9 |
[M-H]- | 272.12922 | 167.4 |
[M+NH4]+ | 291.17032 | 181.3 |
[M+K]+ | 312.09966 | 168.7 |
[M+H-H2O]+ | 256.13376 | 157.4 |
[M+HCOO]- | 318.13470 | 175.1 |
[M+CH3COO]- | 332.15035 | 173.4 |
[M+Na-2H]- | 294.11117 | 167.2 |
[M]+ | 273.13595 | 159.2 |
[M]- | 273.13705 | 159.2 |