CID 371163

Nsc645164

Structural Information

Molecular Formula
C22H17ClN2O2S
SMILES
CC(=O)NC1=CC=C(C=C1)SC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC
InChI
InChI=1S/C22H17ClN2O2S/c1-13(26)24-15-4-7-17(8-5-15)28-22-18-9-3-14(23)11-21(18)25-20-10-6-16(27-2)12-19(20)22/h3-12H,1-2H3,(H,24,26)
InChIKey
PWYMFIRPGIJITI-UHFFFAOYSA-N
Compound name
N-[4-(6-chloro-2-methoxyacridin-9-yl)sulfanylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.06992 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.07720 192.4
[M+Na]+ 431.05914 203.3
[M-H]- 407.06264 200.0
[M+NH4]+ 426.10374 205.3
[M+K]+ 447.03308 195.6
[M+H-H2O]+ 391.06718 183.9
[M+HCOO]- 453.06812 204.5
[M+CH3COO]- 467.08377 202.8
[M+Na-2H]- 429.04459 197.0
[M]+ 408.06937 200.9
[M]- 408.07047 200.9
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.