CID 6185228

N,n-dipentyl-4-(2-(4-quinolinyl)vinyl)aniline

Structural Information

Molecular Formula
C27H34N2
SMILES
CCCCCN(CCCCC)C1=CC=C(C=C1)/C=C/C2=CC=NC3=CC=CC=C23
InChI
InChI=1S/C27H34N2/c1-3-5-9-21-29(22-10-6-4-2)25-17-14-23(15-18-25)13-16-24-19-20-28-27-12-8-7-11-26(24)27/h7-8,11-20H,3-6,9-10,21-22H2,1-2H3/b16-13+
InChIKey
ITAZBTTYYXCYLS-DTQAZKPQSA-N
Compound name
N,N-dipentyl-4-[(E)-2-quinolin-4-ylethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.2722 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.27948 202.0
[M+Na]+ 409.26142 205.6
[M-H]- 385.26492 207.4
[M+NH4]+ 404.30602 213.2
[M+K]+ 425.23536 198.3
[M+H-H2O]+ 369.26946 190.5
[M+HCOO]- 431.27040 221.8
[M+CH3COO]- 445.28605 229.9
[M+Na-2H]- 407.24687 204.2
[M]+ 386.27165 204.9
[M]- 386.27275 204.9
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.