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

5
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

literature stripe

Patent stripe

patents stripe