CID 42544

57665-49-3

Structural Information

Molecular Formula
C26H36Cl2N4
SMILES
CCN(CC)CCN(CCN(CC)CC)N1C=C(C2=C1C=CC(=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C26H36Cl2N4/c1-5-29(6-2)15-17-31(18-16-30(7-3)8-4)32-20-25(21-9-11-22(27)12-10-21)24-19-23(28)13-14-26(24)32/h9-14,19-20H,5-8,15-18H2,1-4H3
InChIKey
OIVDXYHFGJNOSP-UHFFFAOYSA-N
Compound name
N'-[5-chloro-3-(4-chlorophenyl)indol-1-yl]-N'-[2-(diethylamino)ethyl]-N,N-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.2317 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.23898 224.3
[M+Na]+ 497.22092 230.3
[M-H]- 473.22442 232.8
[M+NH4]+ 492.26552 236.5
[M+K]+ 513.19486 223.9
[M+H-H2O]+ 457.22896 213.9
[M+HCOO]- 519.22990 239.7
[M+CH3COO]- 533.24555 253.2
[M+Na-2H]- 495.20637 221.9
[M]+ 474.23115 235.8
[M]- 474.23225 235.8
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.