CID 3071279

Brn 6010800

Structural Information

Molecular Formula
C29H32N4
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)NC4=CC(=NC5=C(C=C(C=C45)C)C)C
InChI
InChI=1S/C29H32N4/c1-20-5-9-25(10-6-20)32-13-15-33(16-14-32)26-11-7-24(8-12-26)31-28-19-23(4)30-29-22(3)17-21(2)18-27(28)29/h5-12,17-19H,13-16H2,1-4H3,(H,30,31)
InChIKey
KAFXIZMVPQNJOA-UHFFFAOYSA-N
Compound name
2,6,8-trimethyl-N-[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.2627 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.26998 216.3
[M+Na]+ 459.25192 222.3
[M-H]- 435.25542 224.6
[M+NH4]+ 454.29652 221.6
[M+K]+ 475.22586 212.8
[M+H-H2O]+ 419.25996 201.4
[M+HCOO]- 481.26090 229.5
[M+CH3COO]- 495.27655 222.5
[M+Na-2H]- 457.23737 216.0
[M]+ 436.26215 212.4
[M]- 436.26325 212.4
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.