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]+ 394.10835 193.5
[M+Na]+ 416.09029 199.1
[M-H]- 392.09379 201.2
[M+NH4]+ 411.13489 206.2
[M+K]+ 432.06423 193.6
[M+H-H2O]+ 376.09833 185.1
[M+HCOO]- 438.09927 211.3
[M+CH3COO]- 452.11492 230.1
[M+Na-2H]- 414.07574 195.6
[M]+ 393.10052 200.5
[M]- 393.10162 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.