CID 38153

Icr 342

Structural Information

Molecular Formula
C18H19Cl2N3OS
SMILES
COC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCSCCCl
InChI
InChI=1S/C18H19Cl2N3OS/c1-24-16-6-5-14-18(23-16)17(21-8-2-9-25-10-7-19)13-4-3-12(20)11-15(13)22-14/h3-6,11H,2,7-10H2,1H3,(H,21,22)
InChIKey
KAGNZQOYBGZGKS-UHFFFAOYSA-N
Compound name
7-chloro-N-[3-(2-chloroethylsulfanyl)propyl]-2-methoxybenzo[b][1,5]naphthyridin-10-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.0626 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.06988 184.1
[M+Na]+ 418.05182 195.0
[M-H]- 394.05532 186.2
[M+NH4]+ 413.09642 197.2
[M+K]+ 434.02576 186.8
[M+H-H2O]+ 378.05986 176.8
[M+HCOO]- 440.06080 190.6
[M+CH3COO]- 454.07645 193.8
[M+Na-2H]- 416.03727 189.1
[M]+ 395.06205 194.6
[M]- 395.06315 194.6
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.