CID 154699560

Ns00117320

Structural Information

Molecular Formula
C22H20F3N3O3
SMILES
CC1=C(C=CC(=C1)OC)N2C=CC3=C2C4=C(C(=CC=C4)OC(F)(F)F)N=C3NCCO
InChI
InChI=1S/C22H20F3N3O3/c1-13-12-14(30-2)6-7-17(13)28-10-8-16-20(28)15-4-3-5-18(31-22(23,24)25)19(15)27-21(16)26-9-11-29/h3-8,10,12,29H,9,11H2,1-2H3,(H,26,27)
InChIKey
DMVYKDGMHJMQBE-UHFFFAOYSA-N
Compound name
2-[[1-(4-methoxy-2-methylphenyl)-6-(trifluoromethoxy)pyrrolo[3,2-c]quinolin-4-yl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.1457 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.15298 202.5
[M+Na]+ 454.13492 213.1
[M-H]- 430.13842 204.5
[M+NH4]+ 449.17952 212.9
[M+K]+ 470.10886 206.1
[M+H-H2O]+ 414.14296 190.5
[M+HCOO]- 476.14390 218.0
[M+CH3COO]- 490.15955 229.8
[M+Na-2H]- 452.12037 205.5
[M]+ 431.14515 205.3
[M]- 431.14625 205.3
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

No patent data available for this compound.