CID 38312

39669-49-3

Structural Information

Molecular Formula
C20H23Br2N3O2
SMILES
CC1=C(C=CC(=C1)N(CC(C)Br)CC(C)Br)N=NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C20H23Br2N3O2/c1-13-10-16(25(11-14(2)21)12-15(3)22)8-9-18(13)23-24-19-7-5-4-6-17(19)20(26)27/h4-10,14-15H,11-12H2,1-3H3,(H,26,27)
InChIKey
IUBPTOPNFAZJQA-UHFFFAOYSA-N
Compound name
2-[[4-[bis(2-bromopropyl)amino]-2-methylphenyl]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

495.0157 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.02298 183.6
[M+Na]+ 518.00492 177.2
[M+NH4]+ 513.04952 184.2
[M+K]+ 533.97886 183.4
[M-H]- 494.00842 185.9
[M+Na-2H]- 515.99037 184.7
[M]+ 495.01515 182.1
[M]- 495.01625 182.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.