CID 212934

Lm 2926

Structural Information

Molecular Formula
C21H22N2O
SMILES
C1CC[N+](C1)(CCN=C2C3=CC=CC=C3C=CC4=CC=CC=C42)[O-]
InChI
InChI=1S/C21H22N2O/c24-23(14-5-6-15-23)16-13-22-21-19-9-3-1-7-17(19)11-12-18-8-2-4-10-20(18)21/h1-4,7-12H,5-6,13-16H2
InChIKey
PMEKIIWMFNXZNO-UHFFFAOYSA-N
Compound name
N-[2-(1-oxidopyrrolidin-1-ium-1-yl)ethyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.17322 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18050 180.1
[M+Na]+ 341.16244 185.9
[M-H]- 317.16594 187.9
[M+NH4]+ 336.20704 196.9
[M+K]+ 357.13638 177.6
[M+H-H2O]+ 301.17048 176.2
[M+HCOO]- 363.17142 200.5
[M+CH3COO]- 377.18707 202.1
[M+Na-2H]- 339.14789 186.8
[M]+ 318.17267 174.4
[M]- 318.17377 174.4
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.