CID 208737

32920-32-4

Structural Information

Molecular Formula
C17H25NO
SMILES
CCCC12CCN(C1CCC3=C2C=C(C=C3)OC)C
InChI
InChI=1S/C17H25NO/c1-4-9-17-10-11-18(2)16(17)8-6-13-5-7-14(19-3)12-15(13)17/h5,7,12,16H,4,6,8-11H2,1-3H3
InChIKey
YAQZDGJQTNHDBP-UHFFFAOYSA-N
Compound name
8-methoxy-3-methyl-9b-propyl-2,3a,4,5-tetrahydro-1H-benzo[e]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1936 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.200876 164.0
[M+Na]+ 282.182818 171.4
[M-H]- 258.186324 167.4
[M+NH4]+ 277.227423 185.8
[M+K]+ 298.156758 167.0
[M+H-H2O]+ 242.190860 157.0
[M+HCOO]- 304.191801 180.8
[M+CH3COO]- 318.207451 199.0
[M+Na-2H]- 280.168266 167.0
[M]+ 259.19305142 163.9
[M]- 259.19414858 163.9
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.