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

1151
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 198.7
[M+Na]+ 395.23322 204.3
[M-H]- 371.23672 207.0
[M+NH4]+ 390.27782 211.0
[M+K]+ 411.20716 193.0
[M+H-H2O]+ 355.24126 190.4
[M+HCOO]- 417.24220 220.4
[M+CH3COO]- 431.25785 226.2
[M+Na-2H]- 393.21867 202.5
[M]+ 372.24345 200.3
[M]- 372.24455 200.3
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