CID 149375

Pentanesulfonamide, n-(p-(acridin-9-ylamino)phenyl)-, hydrochloride

Structural Information

Molecular Formula
C24H25N3O2S
SMILES
CCCCCS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C24H25N3O2S/c1-2-3-8-17-30(28,29)27-19-15-13-18(14-16-19)25-24-20-9-4-6-11-22(20)26-23-12-7-5-10-21(23)24/h4-7,9-16,27H,2-3,8,17H2,1H3,(H,25,26)
InChIKey
ANHFDPAFFBCCIO-UHFFFAOYSA-N
Compound name
N-[4-(acridin-9-ylamino)phenyl]pentane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

419.16675 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.17403 198.1
[M+Na]+ 442.15597 205.6
[M-H]- 418.15947 204.5
[M+NH4]+ 437.20057 208.6
[M+K]+ 458.12991 197.8
[M+H-H2O]+ 402.16401 188.1
[M+HCOO]- 464.16495 214.5
[M+CH3COO]- 478.18060 206.8
[M+Na-2H]- 440.14142 206.3
[M]+ 419.16620 202.7
[M]- 419.16730 202.7
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

No patent data available for this compound.