CID 51403

4'-(9-acridinylamino)-3'-methoxy-1-heptanesulfonanilide methanesulfonate

Structural Information

Molecular Formula
C27H31N3O3S
SMILES
CCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)OC
InChI
InChI=1S/C27H31N3O3S/c1-3-4-5-6-11-18-34(31,32)30-20-16-17-25(26(19-20)33-2)29-27-21-12-7-9-14-23(21)28-24-15-10-8-13-22(24)27/h7-10,12-17,19,30H,3-6,11,18H2,1-2H3,(H,28,29)
InChIKey
UHBQXUOQMAOENC-UHFFFAOYSA-N
Compound name
N-[4-(acridin-9-ylamino)-3-methoxyphenyl]heptane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

477.20862 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.21590 214.9
[M+Na]+ 500.19784 221.3
[M-H]- 476.20134 221.0
[M+NH4]+ 495.24244 223.0
[M+K]+ 516.17178 213.9
[M+H-H2O]+ 460.20588 204.1
[M+HCOO]- 522.20682 230.3
[M+CH3COO]- 536.22247 241.8
[M+Na-2H]- 498.18329 221.2
[M]+ 477.20807 222.0
[M]- 477.20917 222.0
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.