CID 73293

Fascaplysin

Structural Information

Molecular Formula
C18H11N2O
SMILES
C1=CC=C2C(=C1)C3=C(N2)C4=[N+](C=C3)C5=CC=CC=C5C4=O
InChI
InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1
InChIKey
WYQIPCUPNMRAKP-UHFFFAOYSA-O
Compound name
3-aza-13-azoniapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-20-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

92
References

322
Patents

271.08713 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09441 162.2
[M+Na]+ 294.07635 174.6
[M-H]- 270.07985 167.6
[M+NH4]+ 289.12095 182.7
[M+K]+ 310.05029 161.5
[M+H-H2O]+ 254.08439 157.4
[M+HCOO]- 316.08533 181.5
[M+CH3COO]- 330.10098 174.7
[M+Na-2H]- 292.06180 170.9
[M]+ 271.08658 163.6
[M]- 271.08768 163.6
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.