CID 3075869

Brn 3633181

Structural Information

Molecular Formula
C20H19F3N4O
SMILES
CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)OC4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C20H19F3N4O/c1-26-9-11-27(12-10-26)19-24-17-8-3-2-7-16(17)18(25-19)28-15-6-4-5-14(13-15)20(21,22)23/h2-8,13H,9-12H2,1H3
InChIKey
ACXMEEMMTOHVAT-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenoxy]quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1511 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.15838 196.5
[M+Na]+ 411.14032 204.2
[M-H]- 387.14382 197.0
[M+NH4]+ 406.18492 202.7
[M+K]+ 427.11426 196.2
[M+H-H2O]+ 371.14836 180.8
[M+HCOO]- 433.14930 204.9
[M+CH3COO]- 447.16495 202.9
[M+Na-2H]- 409.12577 199.3
[M]+ 388.15055 190.3
[M]- 388.15165 190.3
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.