CID 132792

147145-16-2

Structural Information

Molecular Formula
C16H22N2O
SMILES
CCCN1CC[C@@H]2[C@H]1CCC3=C2C(=CC=C3)C(=O)N
InChI
InChI=1S/C16H22N2O/c1-2-9-18-10-8-12-14(18)7-6-11-4-3-5-13(15(11)12)16(17)19/h3-5,12,14H,2,6-10H2,1H3,(H2,17,19)/t12-,14-/m1/s1
InChIKey
JSZBRMZCAIJCKB-TZMCWYRMSA-N
Compound name
(3aR,9bS)-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4
Patents

258.17322 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18050 162.0
[M+Na]+ 281.16244 167.9
[M-H]- 257.16594 164.7
[M+NH4]+ 276.20704 181.0
[M+K]+ 297.13638 163.3
[M+H-H2O]+ 241.17048 154.9
[M+HCOO]- 303.17142 178.7
[M+CH3COO]- 317.18707 200.8
[M+Na-2H]- 279.14789 163.1
[M]+ 258.17267 158.4
[M]- 258.17377 158.4
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.