CID 3086986

112853-79-9

Structural Information

Molecular Formula
C20H29N3
SMILES
CN(C)CCCN1CC[C@@H]2CC3=C(C[C@@H]2C1)C4=CC=CC=C4N3
InChI
InChI=1S/C20H29N3/c1-22(2)9-5-10-23-11-8-15-13-20-18(12-16(15)14-23)17-6-3-4-7-19(17)21-20/h3-4,6-7,15-16,21H,5,8-14H2,1-2H3/t15-,16-/m1/s1
InChIKey
YFVAFOGDXMZJLU-HZPDHXFCSA-N
Compound name
3-[(4aR,11aS)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.23615 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.24343 177.4
[M+Na]+ 334.22537 189.3
[M+NH4]+ 329.26997 187.0
[M+K]+ 350.19931 182.3
[M-H]- 310.22887 181.0
[M+Na-2H]- 332.21082 180.7
[M]+ 311.23560 180.1
[M]- 311.23670 180.1
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.