CID 362326

Nsc625985

Structural Information

Molecular Formula
C21H26N2O2S
SMILES
CCN(CC)CCSC1=C2C(=CC=C(C2=NC3=CC=CC=C31)OC)OC
InChI
InChI=1S/C21H26N2O2S/c1-5-23(6-2)13-14-26-21-15-9-7-8-10-16(15)22-20-18(25-4)12-11-17(24-3)19(20)21/h7-12H,5-6,13-14H2,1-4H3
InChIKey
JZXAAMBURSYXLD-UHFFFAOYSA-N
Compound name
2-(1,4-dimethoxyacridin-9-yl)sulfanyl-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1715 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.17878 188.2
[M+Na]+ 393.16072 196.7
[M-H]- 369.16422 193.4
[M+NH4]+ 388.20532 202.7
[M+K]+ 409.13466 191.9
[M+H-H2O]+ 353.16876 179.0
[M+HCOO]- 415.16970 205.0
[M+CH3COO]- 429.18535 225.0
[M+Na-2H]- 391.14617 192.0
[M]+ 370.17095 198.7
[M]- 370.17205 198.7
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.