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]+ 425.23360 207.8
[M+Na]+ 447.21554 212.7
[M-H]- 423.21904 215.8
[M+NH4]+ 442.26014 212.9
[M+K]+ 463.18948 204.2
[M+H-H2O]+ 407.22358 192.9
[M+HCOO]- 469.22452 222.0
[M+CH3COO]- 483.24017 214.1
[M+Na-2H]- 445.20099 210.5
[M]+ 424.22577 203.8
[M]- 424.22687 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.