CID 371146

Nsc645150

Structural Information

Molecular Formula
C21H15ClN2O3S
SMILES
CC1=C(C=CC(=C1)[N+](=O)[O-])SC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC
InChI
InChI=1S/C21H15ClN2O3S/c1-12-9-14(24(25)26)4-8-20(12)28-21-16-6-3-13(22)10-19(16)23-18-7-5-15(27-2)11-17(18)21/h3-11H,1-2H3
InChIKey
AIGSGQCDBBCEAL-UHFFFAOYSA-N
Compound name
6-chloro-2-methoxy-9-(2-methyl-4-nitrophenyl)sulfanylacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.0492 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.05648 192.6
[M+Na]+ 433.03842 202.4
[M-H]- 409.04192 200.1
[M+NH4]+ 428.08302 204.4
[M+K]+ 449.01236 191.2
[M+H-H2O]+ 393.04646 188.1
[M+HCOO]- 455.04740 205.1
[M+CH3COO]- 469.06305 218.6
[M+Na-2H]- 431.02387 198.6
[M]+ 410.04865 199.6
[M]- 410.04975 199.6
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.