CID 371145

Nsc645149

Structural Information

Molecular Formula
C20H13ClN2O3S
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)SC4=CC=CC=C4[N+](=O)[O-]
InChI
InChI=1S/C20H13ClN2O3S/c1-26-13-7-9-16-15(11-13)20(14-8-6-12(21)10-17(14)22-16)27-19-5-3-2-4-18(19)23(24)25/h2-11H,1H3
InChIKey
WPNFXZXCEGGGHQ-UHFFFAOYSA-N
Compound name
6-chloro-2-methoxy-9-(2-nitrophenyl)sulfanylacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.03354 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.04082 187.4
[M+Na]+ 419.02276 196.9
[M-H]- 395.02626 194.8
[M+NH4]+ 414.06736 199.6
[M+K]+ 434.99670 185.9
[M+H-H2O]+ 379.03080 183.0
[M+HCOO]- 441.03174 200.3
[M+CH3COO]- 455.04739 214.6
[M+Na-2H]- 417.00821 194.6
[M]+ 396.03299 193.7
[M]- 396.03409 193.7
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.