CID 2762660

Lds-751

Structural Information

Molecular Formula
C25H30N3
SMILES
CC[N+]1=C(C=CC2=C1C=CC(=C2)N(C)C)C=CC=CC3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C25H30N3/c1-6-28-23(16-13-21-19-24(27(4)5)17-18-25(21)28)10-8-7-9-20-11-14-22(15-12-20)26(2)3/h7-19H,6H2,1-5H3/q+1
InChIKey
BCVRWZODRSBEQZ-UHFFFAOYSA-N
Compound name
2-[4-[4-(dimethylamino)phenyl]buta-1,3-dienyl]-1-ethyl-N,N-dimethylquinolin-1-ium-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

54
References

1150
Patents

372.244 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.25128 194.2
[M+Na]+ 395.23322 211.1
[M+NH4]+ 390.27782 203.5
[M+K]+ 411.20716 201.3
[M-H]- 371.23672 202.9
[M+Na-2H]- 393.21867 203.8
[M]+ 372.24345 199.6
[M]- 372.24455 199.6
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

patents stripe