CID 107924

Asulacrine

Structural Information

Molecular Formula
C24H24N4O4S
SMILES
CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NC)NC4=C(C=C(C=C4)NS(=O)(=O)C)OC
InChI
InChI=1S/C24H24N4O4S/c1-14-7-5-8-16-21(14)27-23-17(9-6-10-18(23)24(29)25-2)22(16)26-19-12-11-15(13-20(19)32-3)28-33(4,30)31/h5-13,28H,1-4H3,(H,25,29)(H,26,27)
InChIKey
TWHSQQYCDVSBRK-UHFFFAOYSA-N
Compound name
9-[4-(methanesulfonamido)-2-methoxyanilino]-N,5-dimethylacridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

55
References

12962
Patents

464.15182 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.15910 208.8
[M+Na]+ 487.14104 216.8
[M-H]- 463.14454 216.1
[M+NH4]+ 482.18564 217.3
[M+K]+ 503.11498 211.3
[M+H-H2O]+ 447.14908 198.8
[M+HCOO]- 509.15002 225.3
[M+CH3COO]- 523.16567 243.0
[M+Na-2H]- 485.12649 215.5
[M]+ 464.15127 215.4
[M]- 464.15237 215.4
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