CID 395391

Nsc699927

Structural Information

Molecular Formula
C21H26N2O2S
SMILES
CCN(CC)CCSC1=C2C=C(C=CC2=NC3=C1C=C(C=C3)OC)OC
InChI
InChI=1S/C21H26N2O2S/c1-5-23(6-2)11-12-26-21-17-13-15(24-3)7-9-19(17)22-20-10-8-16(25-4)14-18(20)21/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKey
FTXHPXJPAANONC-UHFFFAOYSA-N
Compound name
2-(2,7-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]+ 371.178776 188.2
[M+Na]+ 393.160718 196.7
[M-H]- 369.164224 193.4
[M+NH4]+ 388.205323 202.7
[M+K]+ 409.134658 191.9
[M+H-H2O]+ 353.168760 179.0
[M+HCOO]- 415.169701 205.0
[M+CH3COO]- 429.185351 225.0
[M+Na-2H]- 391.146166 192.0
[M]+ 370.17095142 198.7
[M]- 370.17204858 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.