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
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 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.