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
2
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]+ 432.152976 202.5
[M+Na]+ 454.134918 213.1
[M-H]- 430.138424 204.5
[M+NH4]+ 449.179523 212.9
[M+K]+ 470.108858 206.1
[M+H-H2O]+ 414.142960 190.5
[M+HCOO]- 476.143901 218.0
[M+CH3COO]- 490.159551 229.8
[M+Na-2H]- 452.120366 205.5
[M]+ 431.14515142 205.3
[M]- 431.14624858 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.