CID 38399

Azobenzene, 4-bis(2-chloropropyl)amino-2'-carboxy-

Structural Information

Molecular Formula
C19H21Cl2N3O2
SMILES
C1=CC=C(C(=C1)C(=O)O)N=NC2=CC=C(C=C2)N(CCCCl)CCCCl
InChI
InChI=1S/C19H21Cl2N3O2/c20-11-3-13-24(14-4-12-21)16-9-7-15(8-10-16)22-23-18-6-2-1-5-17(18)19(25)26/h1-2,5-10H,3-4,11-14H2,(H,25,26)
InChIKey
MHSCCIQJDYCLAL-UHFFFAOYSA-N
Compound name
2-[[4-[bis(3-chloropropyl)amino]phenyl]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.10107 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.108346 193.5
[M+Na]+ 416.090288 199.1
[M-H]- 392.093794 201.2
[M+NH4]+ 411.134893 206.2
[M+K]+ 432.064228 193.6
[M+H-H2O]+ 376.098330 185.1
[M+HCOO]- 438.099271 211.3
[M+CH3COO]- 452.114921 230.1
[M+Na-2H]- 414.075736 195.6
[M]+ 393.10052142 200.5
[M]- 393.10161858 200.5
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.