CID 149245

Benzenesulfonic acid, p-(9-acridinylamino)-

Structural Information

Molecular Formula
C19H14N2O3S
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)S(=O)(=O)O
InChI
InChI=1S/C19H14N2O3S/c22-25(23,24)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/h1-12H,(H,20,21)(H,22,23,24)
InChIKey
ZWNIHGLMXRSUGP-UHFFFAOYSA-N
Compound name
4-(acridin-9-ylamino)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

350.0725 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.07978 177.3
[M+Na]+ 373.06172 187.4
[M-H]- 349.06522 183.7
[M+NH4]+ 368.10632 190.3
[M+K]+ 389.03566 180.5
[M+H-H2O]+ 333.06976 168.9
[M+HCOO]- 395.07070 193.3
[M+CH3COO]- 409.08635 188.0
[M+Na-2H]- 371.04717 187.0
[M]+ 350.07195 180.7
[M]- 350.07305 180.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe