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
2
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]+ 390.142376 192.9
[M+Na]+ 412.124318 203.4
[M-H]- 388.127824 195.4
[M+NH4]+ 407.168923 205.5
[M+K]+ 428.098258 196.7
[M+H-H2O]+ 372.132360 181.3
[M+HCOO]- 434.133301 207.1
[M+CH3COO]- 448.148951 202.0
[M+Na-2H]- 410.109766 194.2
[M]+ 389.13455142 191.8
[M]- 389.13564858 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.