CID 217502

Icr 299

Structural Information

Molecular Formula
C23H23Cl2N3
SMILES
C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4N=C32)NCCN(CCCl)CCCl
InChI
InChI=1S/C23H23Cl2N3/c24-11-14-28(15-12-25)16-13-26-22-19-7-3-4-8-21(19)27-23-18-6-2-1-5-17(18)9-10-20(22)23/h1-10H,11-16H2,(H,26,27)
InChIKey
QDMYKNOORQFDRV-UHFFFAOYSA-N
Compound name
N-benzo[c]acridin-7-yl-N',N'-bis(2-chloroethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.1269 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.13418 194.8
[M+Na]+ 434.11612 203.3
[M-H]- 410.11962 199.0
[M+NH4]+ 429.16072 208.4
[M+K]+ 450.09006 194.6
[M+H-H2O]+ 394.12416 185.4
[M+HCOO]- 456.12510 206.6
[M+CH3COO]- 470.14075 203.7
[M+Na-2H]- 432.10157 202.4
[M]+ 411.12635 202.2
[M]- 411.12745 202.2
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.