CID 626805

Rhazidigenine nb-oxide

Structural Information

Molecular Formula
C19H26N2O2
SMILES
CCC12CCC[N+](C1)(CCC3(C(=NC4=CC=CC=C43)CC2)O)[O-]
InChI
InChI=1S/C19H26N2O2/c1-2-18-9-5-12-21(23,14-18)13-11-19(22)15-6-3-4-7-16(15)20-17(19)8-10-18/h3-4,6-7,22H,2,5,8-14H2,1H3
InChIKey
DJKWUXVCQNIASK-UHFFFAOYSA-N
Compound name
15-ethyl-1-oxido-11-aza-1-azoniatetracyclo[13.3.1.04,12.05,10]nonadeca-5,7,9,11-tetraen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.19943 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.206706 208.0
[M+Na]+ 337.188648 206.9
[M-H]- 313.192154 206.8
[M+NH4]+ 332.233253 207.0
[M+K]+ 353.162588 206.2
[M+H-H2O]+ 297.196690 198.9
[M+HCOO]- 359.197631 207.4
[M+CH3COO]- 373.213281 207.7
[M+Na-2H]- 335.174096 208.0
[M]+ 314.19888142 207.0
[M]- 314.19997858 207.0
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.