CID 371161

Nsc645162

Structural Information

Molecular Formula
C20H13ClN2O2S
SMILES
CC1=C(C=CC(=C1)[N+](=O)[O-])SC2=C3C=CC(=CC3=NC4=CC=CC=C42)Cl
InChI
InChI=1S/C20H13ClN2O2S/c1-12-10-14(23(24)25)7-9-19(12)26-20-15-4-2-3-5-17(15)22-18-11-13(21)6-8-16(18)20/h2-11H,1H3
InChIKey
LZIWXOTUMNLQOY-UHFFFAOYSA-N
Compound name
3-chloro-9-(2-methyl-4-nitrophenyl)sulfanylacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

380.03864 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.04592 184.1
[M+Na]+ 403.02786 194.0
[M-H]- 379.03136 191.5
[M+NH4]+ 398.07246 197.1
[M+K]+ 419.00180 182.2
[M+H-H2O]+ 363.03590 179.9
[M+HCOO]- 425.03684 196.9
[M+CH3COO]- 439.05249 212.5
[M+Na-2H]- 401.01331 191.0
[M]+ 380.03809 189.2
[M]- 380.03919 189.2
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

patents stripe