CID 3065013

Brn 5780302

Structural Information

Molecular Formula
C29H41N3O2
SMILES
CCCN(CCC)CCCN1C(CC2=C(C1C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C24)C
InChI
InChI=1S/C29H41N3O2/c1-6-15-31(16-7-2)17-10-18-32-21(3)19-24-23-11-8-9-12-25(23)30-28(24)29(32)22-13-14-26(33-4)27(20-22)34-5/h8-9,11-14,20-21,29-30H,6-7,10,15-19H2,1-5H3
InChIKey
QAJZDKLMDYBNOK-UHFFFAOYSA-N
Compound name
3-[1-(3,4-dimethoxyphenyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N,N-dipropylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.3199 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.32718 221.8
[M+Na]+ 486.30912 234.7
[M+NH4]+ 481.35372 228.6
[M+K]+ 502.28306 226.8
[M-H]- 462.31262 226.4
[M+Na-2H]- 484.29457 225.5
[M]+ 463.31935 225.0
[M]- 463.32045 225.0
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.