CID 362518

Nsc626540

Structural Information

Molecular Formula
C20H24ClN3O
SMILES
CN(CCCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl
InChI
InChI=1S/C20H24ClN3O/c1-24(13-10-21)12-5-11-22-20-16-6-3-4-7-18(16)23-19-9-8-15(25-2)14-17(19)20/h3-4,6-9,14H,5,10-13H2,1-2H3,(H,22,23)
InChIKey
VMMSBRNYYCAQJP-UHFFFAOYSA-N
Compound name
N'-(2-chloroethyl)-N-(2-methoxyacridin-9-yl)-N'-methylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1608 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.16808 184.8
[M+Na]+ 380.15002 192.9
[M-H]- 356.15352 189.5
[M+NH4]+ 375.19462 199.6
[M+K]+ 396.12396 186.9
[M+H-H2O]+ 340.15806 175.8
[M+HCOO]- 402.15900 203.4
[M+CH3COO]- 416.17465 223.9
[M+Na-2H]- 378.13547 191.9
[M]+ 357.16025 192.5
[M]- 357.16135 192.5
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.