CID 3071280

Brn 6009948

Structural Information

Molecular Formula
C27H28N4O
SMILES
CC1=CC(=C2C=CC=C(C2=N1)OC)NC3=CC=C(C=C3)N4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C27H28N4O/c1-20-19-25(24-9-6-10-26(32-2)27(24)28-20)29-21-11-13-23(14-12-21)31-17-15-30(16-18-31)22-7-4-3-5-8-22/h3-14,19H,15-18H2,1-2H3,(H,28,29)
InChIKey
PCTXPMOAZFHIMU-UHFFFAOYSA-N
Compound name
8-methoxy-2-methyl-N-[4-(4-phenylpiperazin-1-yl)phenyl]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.22632 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.233596 207.8
[M+Na]+ 447.215538 212.7
[M-H]- 423.219044 215.8
[M+NH4]+ 442.260143 212.9
[M+K]+ 463.189478 204.2
[M+H-H2O]+ 407.223580 192.9
[M+HCOO]- 469.224521 222.0
[M+CH3COO]- 483.240171 214.1
[M+Na-2H]- 445.200986 210.5
[M]+ 424.22577142 203.8
[M]- 424.22686858 203.8
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.