CID 139026295

2247262-97-9

Structural Information

Molecular Formula
C32H27N5
SMILES
C1=CC=C2C(=C1)C=CC(=N2)CN(CC3=NC4=CC=CC=C4C=C3)C(CC5=CC=CC=N5)C6=CC=CC=N6
InChI
InChI=1S/C32H27N5/c1-3-12-29-24(9-1)15-17-27(35-29)22-37(23-28-18-16-25-10-2-4-13-30(25)36-28)32(31-14-6-8-20-34-31)21-26-11-5-7-19-33-26/h1-20,32H,21-23H2
InChIKey
MEJXCUAHWFFJFN-UHFFFAOYSA-N
Compound name
1,2-dipyridin-2-yl-N,N-bis(quinolin-2-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.22665 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.23393 218.4
[M+Na]+ 504.21587 222.8
[M-H]- 480.21937 226.3
[M+NH4]+ 499.26047 220.0
[M+K]+ 520.18981 212.6
[M+H-H2O]+ 464.22391 201.3
[M+HCOO]- 526.22485 233.1
[M+CH3COO]- 540.24050 223.4
[M+Na-2H]- 502.20132 226.2
[M]+ 481.22610 217.7
[M]- 481.22720 217.7
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.