CID 154700079

Ns00117789

Structural Information

Molecular Formula
C20H18F3N3O2
SMILES
CC1=C(C=CC(=C1)OC)N2CCC3=C2C4=C(C(=CC=C4)OC(F)(F)F)N=C3N
InChI
InChI=1S/C20H18F3N3O2/c1-11-10-12(27-2)6-7-15(11)26-9-8-14-18(26)13-4-3-5-16(28-20(21,22)23)17(13)25-19(14)24/h3-7,10H,8-9H2,1-2H3,(H2,24,25)
InChIKey
XDTHJXLHKIVHAW-UHFFFAOYSA-N
Compound name
1-(4-methoxy-2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.1351 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.14238 192.9
[M+Na]+ 412.12432 203.4
[M-H]- 388.12782 195.4
[M+NH4]+ 407.16892 205.5
[M+K]+ 428.09826 196.7
[M+H-H2O]+ 372.13236 181.3
[M+HCOO]- 434.13330 207.1
[M+CH3COO]- 448.14895 202.0
[M+Na-2H]- 410.10977 194.2
[M]+ 389.13455 191.8
[M]- 389.13565 191.8
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.