CID 3063310

Psi-indolo(2',3'-1,2)juloline hemisulfate

Structural Information

Molecular Formula
C18H19N2
SMILES
C1C=CC2C3C(C=[N+]4C2C1=CC=C4)C5C=CC=CC5N3
InChI
InChI=1S/C18H19N2/c1-2-9-16-13(7-1)15-11-20-10-4-6-12-5-3-8-14(18(12)20)17(15)19-16/h1-4,6-11,13-19H,5H2/q+1
InChIKey
ZVUCFUCDQBZDOS-UHFFFAOYSA-N
Compound name
3-aza-12-azoniapentacyclo[10.7.1.02,10.04,9.016,20]icosa-5,7,11,13,15,18-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15482 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.16210 160.3
[M+Na]+ 286.14404 166.7
[M-H]- 262.14754 162.1
[M+NH4]+ 281.18864 178.9
[M+K]+ 302.11798 154.0
[M+H-H2O]+ 246.15208 153.8
[M+HCOO]- 308.15302 171.4
[M+CH3COO]- 322.16867 169.7
[M+Na-2H]- 284.12949 168.1
[M]+ 263.15427 154.2
[M]- 263.15537 154.2
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.