CID 14109800

Desoxy-wieland-gumlich aldehyde

Structural Information

Molecular Formula
C19H22N2O
SMILES
C/C=C\1/CN2CC[C@@]34[C@@H]2C[C@@H]1[C@H]([C@@H]3NC5=CC=CC=C45)C=O
InChI
InChI=1S/C19H22N2O/c1-2-12-10-21-8-7-19-15-5-3-4-6-16(15)20-18(19)14(11-22)13(12)9-17(19)21/h2-6,11,13-14,17-18,20H,7-10H2,1H3/b12-2-/t13-,14+,17-,18-,19+/m0/s1
InChIKey
GOUXXPLYMIUQLE-MGOMBJFSSA-N
Compound name
(1S,9S,10R,11R,12E,17S)-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-triene-10-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17322 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 172.7
[M+Na]+ 317.16244 183.0
[M+NH4]+ 312.20704 183.7
[M+K]+ 333.13638 176.5
[M-H]- 293.16594 173.4
[M+Na-2H]- 315.14789 172.3
[M]+ 294.17267 174.3
[M]- 294.17377 174.3
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.