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]+ 315.20671 208.0
[M+Na]+ 337.18865 206.9
[M-H]- 313.19215 206.8
[M+NH4]+ 332.23325 207.0
[M+K]+ 353.16259 206.2
[M+H-H2O]+ 297.19669 198.9
[M+HCOO]- 359.19763 207.4
[M+CH3COO]- 373.21328 207.7
[M+Na-2H]- 335.17410 208.0
[M]+ 314.19888 207.0
[M]- 314.19998 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.