CID 498041

Nsc13299

Structural Information

Molecular Formula
C24H36ClN3
SMILES
CCCCN(CCCC)CCCNC1=C2CCCCC2=NC3=C1C=CC(=C3)Cl
InChI
InChI=1S/C24H36ClN3/c1-3-5-15-28(16-6-4-2)17-9-14-26-24-20-10-7-8-11-22(20)27-23-18-19(25)12-13-21(23)24/h12-13,18H,3-11,14-17H2,1-2H3,(H,26,27)
InChIKey
MMFJWHYLXCAAMO-UHFFFAOYSA-N
Compound name
N',N'-dibutyl-N-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.25977 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.26705 202.4
[M+Na]+ 424.24899 205.8
[M-H]- 400.25249 205.0
[M+NH4]+ 419.29359 215.1
[M+K]+ 440.22293 198.7
[M+H-H2O]+ 384.25703 192.7
[M+HCOO]- 446.25797 215.0
[M+CH3COO]- 460.27362 234.6
[M+Na-2H]- 422.23444 204.2
[M]+ 401.25922 205.6
[M]- 401.26032 205.6
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.