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]+ 437.269976 216.3
[M+Na]+ 459.251918 222.3
[M-H]- 435.255424 224.6
[M+NH4]+ 454.296523 221.6
[M+K]+ 475.225858 212.8
[M+H-H2O]+ 419.259960 201.4
[M+HCOO]- 481.260901 229.5
[M+CH3COO]- 495.276551 222.5
[M+Na-2H]- 457.237366 216.0
[M]+ 436.26215142 212.4
[M]- 436.26324858 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.