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 193.8
[M+Na]+ 533.99984 198.7
[M-H]- 510.00334 203.1
[M+NH4]+ 529.04444 205.0
[M+K]+ 549.97378 184.1
[M+H-H2O]+ 494.00788 196.2
[M+HCOO]- 556.00882 209.6
[M+CH3COO]- 570.02447 244.5
[M+Na-2H]- 531.98529 194.3
[M]+ 511.01007 229.6
[M]- 511.01117 229.6
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.