CID 132345

141318-62-9

Structural Information

Molecular Formula
C19H26N2O
SMILES
CCCN(CCC)[C@H]1CC2=CNC3=C2C(=C(C=C3)C(=O)C)C1
InChI
InChI=1S/C19H26N2O/c1-4-8-21(9-5-2)15-10-14-12-20-18-7-6-16(13(3)22)17(11-15)19(14)18/h6-7,12,15,20H,4-5,8-11H2,1-3H3/t15-/m0/s1
InChIKey
CKYZLYQSDNLGPT-HNNXBMFYSA-N
Compound name
1-[(4R)-4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

32
Patents

298.2045 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.21178 174.8
[M+Na]+ 321.19372 180.9
[M-H]- 297.19722 177.6
[M+NH4]+ 316.23832 192.8
[M+K]+ 337.16766 176.2
[M+H-H2O]+ 281.20176 167.3
[M+HCOO]- 343.20270 193.0
[M+CH3COO]- 357.21835 211.7
[M+Na-2H]- 319.17917 176.4
[M]+ 298.20395 177.3
[M]- 298.20505 177.3
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