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]+ 344.15242 180.2
[M+Na]+ 366.13436 188.8
[M-H]- 342.13786 185.1
[M+NH4]+ 361.17896 195.5
[M+K]+ 382.10830 182.9
[M+H-H2O]+ 326.14240 171.4
[M+HCOO]- 388.14334 199.1
[M+CH3COO]- 402.15899 221.0
[M+Na-2H]- 364.11981 187.8
[M]+ 343.14459 187.6
[M]- 343.14569 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.