CID 42516

57647-41-3

Structural Information

Molecular Formula
C20H23Cl2N3
SMILES
CN(C)CCCN(C)N1C=C(C2=C1C=CC(=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H23Cl2N3/c1-23(2)11-4-12-24(3)25-14-19(15-5-7-16(21)8-6-15)18-13-17(22)9-10-20(18)25/h5-10,13-14H,4,11-12H2,1-3H3
InChIKey
DOGJMXOQBBLXIN-UHFFFAOYSA-N
Compound name
N'-[5-chloro-3-(4-chlorophenyl)indol-1-yl]-N,N,N'-trimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

375.1269 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.13418 189.2
[M+Na]+ 398.11612 205.2
[M+NH4]+ 393.16072 198.7
[M+K]+ 414.09006 196.5
[M-H]- 374.11962 195.8
[M+Na-2H]- 396.10157 197.9
[M]+ 375.12635 194.2
[M]- 375.12745 194.2
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

patents stripe