CID 363296

Nsc628115

Structural Information

Molecular Formula
C19H22ClN3O
SMILES
CN(CCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl
InChI
InChI=1S/C19H22ClN3O/c1-23(11-9-20)12-10-21-19-15-5-3-4-6-17(15)22-18-8-7-14(24-2)13-16(18)19/h3-8,13H,9-12H2,1-2H3,(H,21,22)
InChIKey
YLKGWEIAFBGITF-UHFFFAOYSA-N
Compound name
N'-(2-chloroethyl)-N-(2-methoxyacridin-9-yl)-N'-methylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.14514 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.152416 180.2
[M+Na]+ 366.134358 188.8
[M-H]- 342.137864 185.1
[M+NH4]+ 361.178963 195.5
[M+K]+ 382.108298 182.9
[M+H-H2O]+ 326.142400 171.4
[M+HCOO]- 388.143341 199.1
[M+CH3COO]- 402.158991 221.0
[M+Na-2H]- 364.119806 187.8
[M]+ 343.14459142 187.6
[M]- 343.14568858 187.6
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.