CID 100042

82589-57-9

Structural Information

Molecular Formula
C17H19NO
SMILES
COC1=CC2=C(C=C1)C3=C(CN4CCCC4C3)C=C2
InChI
InChI=1S/C17H19NO/c1-19-15-6-7-16-12(9-15)4-5-13-11-18-8-2-3-14(18)10-17(13)16/h4-7,9,14H,2-3,8,10-11H2,1H3
InChIKey
VBQFEZHKFJNYJB-UHFFFAOYSA-N
Compound name
3-methoxy-7,9,10,11,11a,12-hexahydronaphtho[2,1-f]indolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.14667 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.153946 158.0
[M+Na]+ 276.135888 165.5
[M-H]- 252.139394 162.3
[M+NH4]+ 271.180493 178.6
[M+K]+ 292.109828 160.3
[M+H-H2O]+ 236.143930 150.3
[M+HCOO]- 298.144871 174.5
[M+CH3COO]- 312.160521 169.5
[M+Na-2H]- 274.121336 162.7
[M]+ 253.14612142 156.2
[M]- 253.14721858 156.2
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.