CID 336474

Nsc351094

Structural Information

Molecular Formula
C25H27Cl4N3O
SMILES
CCCCN(CCCC)CC(C1=CC(=NC2=C1C=C(C=C2Cl)Cl)C3=CC(=C(C=C3)Cl)Cl)N=O
InChI
InChI=1S/C25H27Cl4N3O/c1-3-5-9-32(10-6-4-2)15-24(31-33)18-14-23(16-7-8-20(27)21(28)11-16)30-25-19(18)12-17(26)13-22(25)29/h7-8,11-14,24H,3-6,9-10,15H2,1-2H3
InChIKey
QSGRNWBDMLJFAR-UHFFFAOYSA-N
Compound name
N-butyl-N-[2-[6,8-dichloro-2-(3,4-dichlorophenyl)quinolin-4-yl]-2-nitrosoethyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

525.0908 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.09808 222.6
[M+Na]+ 548.08002 230.2
[M-H]- 524.08352 226.6
[M+NH4]+ 543.12462 230.8
[M+K]+ 564.05396 223.1
[M+H-H2O]+ 508.08806 213.8
[M+HCOO]- 570.08900 224.1
[M+CH3COO]- 584.10465 252.9
[M+Na-2H]- 546.06547 219.3
[M]+ 525.09025 231.9
[M]- 525.09135 231.9
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.