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]+ 260.20088 164.0
[M+Na]+ 282.18282 171.4
[M-H]- 258.18632 167.4
[M+NH4]+ 277.22742 185.8
[M+K]+ 298.15676 167.0
[M+H-H2O]+ 242.19086 157.0
[M+HCOO]- 304.19180 180.8
[M+CH3COO]- 318.20745 199.0
[M+Na-2H]- 280.16827 167.0
[M]+ 259.19305 163.9
[M]- 259.19415 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.