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 222.1
[M+Na]+ 486.30912 227.1
[M-H]- 462.31262 226.9
[M+NH4]+ 481.35372 231.6
[M+K]+ 502.28306 220.4
[M+H-H2O]+ 446.31716 210.9
[M+HCOO]- 508.31810 237.3
[M+CH3COO]- 522.33375 244.0
[M+Na-2H]- 484.29457 219.2
[M]+ 463.31935 227.5
[M]- 463.32045 227.5
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.