CID 3075352

2h-pyrazolo(4,3-c)quinoline-4-ethanamine, 2-(2-benzothiazolyl)-7-chloro-n-propyl-

Structural Information

Molecular Formula
C22H20ClN5S
SMILES
CCCNCCC1=NC2=C(C=CC(=C2)Cl)C3=NN(C=C13)C4=NC5=CC=CC=C5S4
InChI
InChI=1S/C22H20ClN5S/c1-2-10-24-11-9-17-16-13-28(22-26-18-5-3-4-6-20(18)29-22)27-21(16)15-8-7-14(23)12-19(15)25-17/h3-8,12-13,24H,2,9-11H2,1H3
InChIKey
RKZDGJSIPXTMSO-UHFFFAOYSA-N
Compound name
N-[2-[2-(1,3-benzothiazol-2-yl)-7-chloropyrazolo[4,3-c]quinolin-4-yl]ethyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.1128 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.12008 198.4
[M+Na]+ 444.10202 212.5
[M-H]- 420.10552 204.5
[M+NH4]+ 439.14662 212.1
[M+K]+ 460.07596 203.2
[M+H-H2O]+ 404.11006 189.7
[M+HCOO]- 466.11100 210.3
[M+CH3COO]- 480.12665 208.8
[M+Na-2H]- 442.08747 200.8
[M]+ 421.11225 209.1
[M]- 421.11335 209.1
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.