CID 162338

Benz(c)acridine, 7-((3-((2-chloroethyl)amino)propyl)amino)-, dihydrochloride, sesquihydrate

Structural Information

Molecular Formula
C22H22ClN3
SMILES
C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4N=C32)NCCCNCCCl
InChI
InChI=1S/C22H22ClN3/c23-12-15-24-13-5-14-25-21-18-8-3-4-9-20(18)26-22-17-7-2-1-6-16(17)10-11-19(21)22/h1-4,6-11,24H,5,12-15H2,(H,25,26)
InChIKey
MOBZFJHEXPBLHW-UHFFFAOYSA-N
Compound name
N'-benzo[c]acridin-7-yl-N-(2-chloroethyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.15024 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15752 183.2
[M+Na]+ 386.13946 191.8
[M-H]- 362.14296 187.2
[M+NH4]+ 381.18406 197.8
[M+K]+ 402.11340 182.8
[M+H-H2O]+ 346.14750 173.8
[M+HCOO]- 408.14844 200.0
[M+CH3COO]- 422.16409 192.9
[M+Na-2H]- 384.12491 193.2
[M]+ 363.14969 187.7
[M]- 363.15079 187.7
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.