CID 484034

3-[4-(5-bromo-1h-indol-3-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-6-yl]prop-2-yn-1-ol

Structural Information

Molecular Formula
C22H19BrN2O2
SMILES
C1COC2C1C(NC3=C(C=CC=C23)C#CCO)C4=CNC5=C4C=C(C=C5)Br
InChI
InChI=1S/C22H19BrN2O2/c23-14-6-7-19-17(11-14)18(12-24-19)21-16-8-10-27-22(16)15-5-1-3-13(4-2-9-26)20(15)25-21/h1,3,5-7,11-12,16,21-22,24-26H,8-10H2
InChIKey
OLCKXHOQJNTGFQ-UHFFFAOYSA-N
Compound name
3-[4-(5-bromo-1H-indol-3-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-6-yl]prop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.063 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.07028 198.6
[M+Na]+ 445.05222 212.6
[M-H]- 421.05572 200.7
[M+NH4]+ 440.09682 211.5
[M+K]+ 461.02616 194.2
[M+H-H2O]+ 405.06026 191.7
[M+HCOO]- 467.06120 206.1
[M+CH3COO]- 481.07685 206.6
[M+Na-2H]- 443.03767 197.6
[M]+ 422.06245 207.2
[M]- 422.06355 207.2
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.