CID 148290

Icr 312

Structural Information

Molecular Formula
C21H20ClN3
SMILES
C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4N=C32)NCCNCCCl
InChI
InChI=1S/C21H20ClN3/c22-11-12-23-13-14-24-20-17-7-3-4-8-19(17)25-21-16-6-2-1-5-15(16)9-10-18(20)21/h1-10,23H,11-14H2,(H,24,25)
InChIKey
YIIMOSKOTUYRES-UHFFFAOYSA-N
Compound name
N'-benzo[c]acridin-7-yl-N-(2-chloroethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.13458 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.14186 178.7
[M+Na]+ 372.12380 187.7
[M-H]- 348.12730 182.9
[M+NH4]+ 367.16840 193.8
[M+K]+ 388.09774 178.9
[M+H-H2O]+ 332.13184 169.5
[M+HCOO]- 394.13278 195.9
[M+CH3COO]- 408.14843 188.9
[M+Na-2H]- 370.10925 189.2
[M]+ 349.13403 182.9
[M]- 349.13513 182.9
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.