CID 217468

Icr 376

Structural Information

Molecular Formula
C19H22ClN3O
SMILES
COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NCCCNCCCl
InChI
InChI=1S/C19H22ClN3O/c1-24-14-7-8-18-16(13-14)19(22-11-4-10-21-12-9-20)15-5-2-3-6-17(15)23-18/h2-3,5-8,13,21H,4,9-12H2,1H3,(H,22,23)
InChIKey
AYAMUBIWTKMTLP-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N'-(2-methoxyacridin-9-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.14514 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.15242 178.9
[M+Na]+ 366.13436 187.4
[M-H]- 342.13786 182.4
[M+NH4]+ 361.17896 193.7
[M+K]+ 382.10830 180.3
[M+H-H2O]+ 326.14240 170.4
[M+HCOO]- 388.14334 197.4
[M+CH3COO]- 402.15899 189.3
[M+Na-2H]- 364.11981 187.5
[M]+ 343.14459 185.2
[M]- 343.14569 185.2
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.