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

280
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 165.0
[M+Na]+ 346.10497 173.2
[M-H]- 322.10847 173.6
[M+NH4]+ 341.14957 180.5
[M+K]+ 362.07891 172.5
[M+H-H2O]+ 306.11301 159.1
[M+HCOO]- 368.11395 174.6
[M+CH3COO]- 382.12960 176.1
[M+Na-2H]- 344.09042 169.1
[M]+ 323.11520 166.3
[M]- 323.11630 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.