CID 19369784

Schembl7496504

Structural Information

Molecular Formula
C21H20F3N3O3
SMILES
CC1=C(C=CC(=C1)O)N2CCC3=C2C4=C(C(=CC=C4)OC(F)(F)F)N=C3NCCO
InChI
InChI=1S/C21H20F3N3O3/c1-12-11-13(29)5-6-16(12)27-9-7-15-19(27)14-3-2-4-17(30-21(22,23)24)18(14)26-20(15)25-8-10-28/h2-6,11,28-29H,7-10H2,1H3,(H,25,26)
InChIKey
GGMKFKAZYCZEKA-UHFFFAOYSA-N
Compound name
4-[4-(2-hydroxyethylamino)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl]-3-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

419.1457 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.15298 198.3
[M+Na]+ 442.13492 207.0
[M-H]- 418.13842 198.4
[M+NH4]+ 437.17952 208.4
[M+K]+ 458.10886 199.9
[M+H-H2O]+ 402.14296 187.1
[M+HCOO]- 464.14390 209.9
[M+CH3COO]- 478.15955 225.5
[M+Na-2H]- 440.12037 199.8
[M]+ 419.14515 196.4
[M]- 419.14625 196.4
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.