CID 215733

Icr 224

Structural Information

Molecular Formula
C21H26ClN3O
SMILES
CCN(CCCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl
InChI
InChI=1S/C21H26ClN3O/c1-3-25(14-11-22)13-6-12-23-21-17-7-4-5-8-19(17)24-20-10-9-16(26-2)15-18(20)21/h4-5,7-10,15H,3,6,11-14H2,1-2H3,(H,23,24)
InChIKey
UDGUHFJPKKDFDV-UHFFFAOYSA-N
Compound name
N'-(2-chloroethyl)-N'-ethyl-N-(2-methoxyacridin-9-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.17645 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.18373 189.4
[M+Na]+ 394.16567 197.1
[M-H]- 370.16917 193.9
[M+NH4]+ 389.21027 203.6
[M+K]+ 410.13961 190.8
[M+H-H2O]+ 354.17371 180.2
[M+HCOO]- 416.17465 207.6
[M+CH3COO]- 430.19030 226.8
[M+Na-2H]- 392.15112 196.0
[M]+ 371.17590 197.5
[M]- 371.17700 197.5
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.