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 192.1
[M+Na]+ 398.11612 201.7
[M-H]- 374.11962 200.4
[M+NH4]+ 393.16072 208.2
[M+K]+ 414.09006 195.1
[M+H-H2O]+ 358.12416 183.5
[M+HCOO]- 420.12510 208.1
[M+CH3COO]- 434.14075 228.2
[M+Na-2H]- 396.10157 193.1
[M]+ 375.12635 201.0
[M]- 375.12745 201.0
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