CID 697545

Stylopin

Structural Information

Molecular Formula
C19H17NO4
SMILES
C1CN2CC3=C(C[C@@H]2C4=CC5=C(C=C41)OCO5)C=CC6=C3OCO6
InChI
InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m1/s1
InChIKey
UXYJCYXWJGAKQY-OAHLLOKOSA-N
Compound name
(1R)-5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

25
References

302
Patents

323.11575 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.12303 172.6
[M+Na]+ 346.10497 186.5
[M+NH4]+ 341.14957 183.0
[M+K]+ 362.07891 183.7
[M-H]- 322.10847 181.3
[M+Na-2H]- 344.09042 171.7
[M]+ 323.11520 177.3
[M]- 323.11630 177.3
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

patents stripe