CID 171666159

18-oh norfluorocurarine

Structural Information

Molecular Formula
C19H20N2O2
SMILES
C1CN2C/C(=C/CO)/[C@@H]3C[C@H]2[C@]14C5=CC=CC=C5NC4=C3C=O
InChI
InChI=1S/C19H20N2O2/c22-8-5-12-10-21-7-6-19-15-3-1-2-4-16(15)20-18(19)14(11-23)13(12)9-17(19)21/h1-5,11,13,17,20,22H,6-10H2/b12-5-/t13-,17-,19+/m0/s1
InChIKey
AMUXRBXLNYRDMU-YUUFOEQDSA-N
Compound name
(1R,11S,12E,17S)-12-(2-hydroxyethylidene)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15247 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 174.3
[M+Na]+ 331.14169 184.5
[M+NH4]+ 326.18629 184.5
[M+K]+ 347.11563 178.6
[M-H]- 307.14519 174.3
[M+Na-2H]- 329.12714 173.9
[M]+ 308.15192 175.6
[M]- 308.15302 175.6
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.