CID 38404

40136-96-7

Structural Information

Molecular Formula
C20H23Br2N3O3
SMILES
CC(CN(CC(C)Br)C1=CC(=C(C=C1)N=NC2=CC=CC=C2C(=O)O)OC)Br
InChI
InChI=1S/C20H23Br2N3O3/c1-13(21)11-25(12-14(2)22)15-8-9-18(19(10-15)28-3)24-23-17-7-5-4-6-16(17)20(26)27/h4-10,13-14H,11-12H2,1-3H3,(H,26,27)
InChIKey
WUBLXGHQQPESHV-UHFFFAOYSA-N
Compound name
2-[[4-[bis(2-bromopropyl)amino]-2-methoxyphenyl]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.01062 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.01790 186.1
[M+Na]+ 533.99984 179.4
[M+NH4]+ 529.04444 186.3
[M+K]+ 549.97378 185.9
[M-H]- 510.00334 188.1
[M+Na-2H]- 531.98529 186.9
[M]+ 511.01007 184.5
[M]- 511.01117 184.5
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.