CID 70682698

11-hydroxyvittatine

Structural Information

Molecular Formula
C16H17NO4
SMILES
C1[C@@H](C=C[C@]23[C@H]1N(C[C@H]2O)CC4=CC5=C(C=C34)OCO5)O
InChI
InChI=1S/C16H17NO4/c18-10-1-2-16-11-5-13-12(20-8-21-13)3-9(11)6-17(7-15(16)19)14(16)4-10/h1-3,5,10,14-15,18-19H,4,6-8H2/t10-,14+,15-,16+/m1/s1
InChIKey
KWAOMPWGIIXDPH-NWLYGAKOSA-N
Compound name
(1S,13S,15S,18S)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-15,18-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

2
Patents

287.11575 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.123026 160.4
[M+Na]+ 310.104968 168.6
[M-H]- 286.108474 165.2
[M+NH4]+ 305.149573 180.1
[M+K]+ 326.078908 165.7
[M+H-H2O]+ 270.113010 154.9
[M+HCOO]- 332.113951 171.2
[M+CH3COO]- 346.129601 171.5
[M+Na-2H]- 308.090416 164.3
[M]+ 287.11520142 159.3
[M]- 287.11629858 159.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.