CID 131126

129821-07-4

Structural Information

Molecular Formula
C19H23N3S
SMILES
CCN(CC)CCSC1=C2C=CC(=CC2=NC3=CC=CC=C31)N
InChI
InChI=1S/C19H23N3S/c1-3-22(4-2)11-12-23-19-15-7-5-6-8-17(15)21-18-13-14(20)9-10-16(18)19/h5-10,13H,3-4,11-12,20H2,1-2H3
InChIKey
SVUOIXZUNWXZPS-UHFFFAOYSA-N
Compound name
9-[2-(diethylamino)ethylsulfanyl]acridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

325.16125 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.16853 174.8
[M+Na]+ 348.15047 183.0
[M-H]- 324.15397 179.4
[M+NH4]+ 343.19507 190.5
[M+K]+ 364.12441 177.0
[M+H-H2O]+ 308.15851 166.2
[M+HCOO]- 370.15945 192.4
[M+CH3COO]- 384.17510 185.5
[M+Na-2H]- 346.13592 180.0
[M]+ 325.16070 179.9
[M]- 325.16180 179.9
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