CID 511171

Schembl15061231

Structural Information

Molecular Formula
C21H27ClN4O
SMILES
CN(CCCN)CCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC
InChI
InChI=1S/C21H27ClN4O/c1-26(11-3-9-23)12-4-10-24-21-17-7-5-15(22)13-20(17)25-19-8-6-16(27-2)14-18(19)21/h5-8,13-14H,3-4,9-12,23H2,1-2H3,(H,24,25)
InChIKey
INARJEFYSJNGDC-UHFFFAOYSA-N
Compound name
N'-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]-N'-methylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

386.18735 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.19463 193.6
[M+Na]+ 409.17657 201.3
[M-H]- 385.18007 197.9
[M+NH4]+ 404.22117 206.8
[M+K]+ 425.15051 195.0
[M+H-H2O]+ 369.18461 184.5
[M+HCOO]- 431.18555 212.2
[M+CH3COO]- 445.20120 232.6
[M+Na-2H]- 407.16202 199.0
[M]+ 386.18680 200.5
[M]- 386.18790 200.5
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.