CID 3085244

62510-46-7

Structural Information

Molecular Formula
C18H20N2O
SMILES
C[N+]1(CCN2C(C1)C3=CC=CC=C3CC4=CC=CC=C42)[O-]
InChI
InChI=1S/C18H20N2O/c1-20(21)11-10-19-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(19)13-20/h2-9,18H,10-13H2,1H3
InChIKey
VVDXWJOYXVNLLQ-UHFFFAOYSA-N
Compound name
5-methyl-5-oxido-2-aza-5-azoniatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

0
Patents

280.15756 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.164836 166.4
[M+Na]+ 303.146778 172.8
[M-H]- 279.150284 169.4
[M+NH4]+ 298.191383 182.7
[M+K]+ 319.120718 165.1
[M+H-H2O]+ 263.154820 162.2
[M+HCOO]- 325.155761 179.1
[M+CH3COO]- 339.171411 194.3
[M+Na-2H]- 301.132226 174.9
[M]+ 280.15701142 158.1
[M]- 280.15810858 158.1
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

No patent data available for this compound.