CID 430134

Nsc268908

Structural Information

Molecular Formula
C19H14N2S
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)S
InChI
InChI=1S/C19H14N2S/c22-14-11-9-13(10-12-14)20-19-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)19/h1-12,22H,(H,20,21)
InChIKey
ABZVNGGVGDRLOC-UHFFFAOYSA-N
Compound name
4-(acridin-9-ylamino)benzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.08777 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.09505 165.3
[M+Na]+ 325.07699 176.1
[M-H]- 301.08049 173.0
[M+NH4]+ 320.12159 181.5
[M+K]+ 341.05093 168.4
[M+H-H2O]+ 285.08503 156.7
[M+HCOO]- 347.08597 183.7
[M+CH3COO]- 361.10162 177.4
[M+Na-2H]- 323.06244 174.1
[M]+ 302.08722 168.3
[M]- 302.08832 168.3
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.