CID 395392

Nsc699928

Structural Information

Molecular Formula
C21H26N2O3S
SMILES
CCN(CC)CCS(=O)C1=C2C=C(C=CC2=NC3=C1C=C(C=C3)OC)OC
InChI
InChI=1S/C21H26N2O3S/c1-5-23(6-2)11-12-27(24)21-17-13-15(25-3)7-9-19(17)22-20-10-8-16(26-4)14-18(20)21/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKey
CXSKHDXAIRKSGV-UHFFFAOYSA-N
Compound name
2-(2,7-dimethoxyacridin-9-yl)sulfinyl-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1664 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.17368 191.1
[M+Na]+ 409.15562 199.1
[M-H]- 385.15912 196.3
[M+NH4]+ 404.20022 204.6
[M+K]+ 425.12956 195.1
[M+H-H2O]+ 369.16366 182.0
[M+HCOO]- 431.16460 207.1
[M+CH3COO]- 445.18025 227.3
[M+Na-2H]- 407.14107 194.1
[M]+ 386.16585 201.7
[M]- 386.16695 201.7
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.