CID 371147

Nsc645151

Structural Information

Molecular Formula
C20H15N3O2S
SMILES
C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)N)SCC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C20H15N3O2S/c21-14-7-10-17-19(11-14)22-18-4-2-1-3-16(18)20(17)26-12-13-5-8-15(9-6-13)23(24)25/h1-11H,12,21H2
InChIKey
AVIAVVISMHVVAC-UHFFFAOYSA-N
Compound name
9-[(4-nitrophenyl)methylsulfanyl]acridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.0885 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.09578 178.5
[M+Na]+ 384.07772 186.3
[M-H]- 360.08122 185.2
[M+NH4]+ 379.12232 190.5
[M+K]+ 400.05166 174.9
[M+H-H2O]+ 344.08576 173.3
[M+HCOO]- 406.08670 196.3
[M+CH3COO]- 420.10235 212.0
[M+Na-2H]- 382.06317 187.0
[M]+ 361.08795 179.3
[M]- 361.08905 179.3
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.