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 192.3
[M+Na]+ 518.00492 197.6
[M-H]- 494.00842 201.8
[M+NH4]+ 513.04952 204.3
[M+K]+ 533.97886 182.4
[M+H-H2O]+ 478.01296 195.0
[M+HCOO]- 540.01390 208.1
[M+CH3COO]- 554.02955 242.9
[M+Na-2H]- 515.99037 192.7
[M]+ 495.01515 227.2
[M]- 495.01625 227.2
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.