CID 6536869

Linogliride

Structural Information

Molecular Formula
C16H22N4O
SMILES
CN\1CCC/C1=N\C(=NC2=CC=CC=C2)N3CCOCC3
InChI
InChI=1S/C16H22N4O/c1-19-9-5-8-15(19)18-16(20-10-12-21-13-11-20)17-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3/b17-16?,18-15+
InChIKey
OPPLDIXFHYTSSR-GLECISQGSA-N
Compound name
(NE)-N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

0
Patents

286.17935 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.18663 169.1
[M+Na]+ 309.16857 171.6
[M-H]- 285.17207 177.8
[M+NH4]+ 304.21317 182.3
[M+K]+ 325.14251 169.8
[M+H-H2O]+ 269.17661 158.1
[M+HCOO]- 331.17755 188.9
[M+CH3COO]- 345.19320 179.0
[M+Na-2H]- 307.15402 171.3
[M]+ 286.17880 163.3
[M]- 286.17990 163.3
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.