CID 6444961

31432-70-9

Structural Information

Molecular Formula
C20H18ClN3O4
SMILES
C1=CC2=C(C=C(N=C2C=C1Cl)/C=C/C=C/C3=CC=C(O3)[N+](=O)[O-])NCCCO
InChI
InChI=1S/C20H18ClN3O4/c21-14-6-8-17-18(22-10-3-11-25)13-15(23-19(17)12-14)4-1-2-5-16-7-9-20(28-16)24(26)27/h1-2,4-9,12-13,25H,3,10-11H2,(H,22,23)/b4-1+,5-2+
InChIKey
DKDOBYFPWRKUBS-GRSRPBPQSA-N
Compound name
3-[[7-chloro-2-[(1E,3E)-4-(5-nitrofuran-2-yl)buta-1,3-dienyl]quinolin-4-yl]amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.09857 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.10585 192.8
[M+Na]+ 422.08779 207.4
[M+NH4]+ 417.13239 198.9
[M+K]+ 438.06173 203.3
[M-H]- 398.09129 198.5
[M+Na-2H]- 420.07324 198.0
[M]+ 399.09802 196.6
[M]- 399.09912 196.6
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

No patent data available for this compound.