CID 112812
Carbamic acid, ethyl-, [[3-chloro-4-[(2-chloro-4-nitrophenyl)azo]phenyl]imino]di-2,1-ethanediyl ester
Structural Information
- Molecular Formula
- C22H26Cl2N6O6
- SMILES
- CCNC(=O)OCCN(CCOC(=O)NCC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Cl
- InChI
- InChI=1S/C22H26Cl2N6O6/c1-3-25-21(31)35-11-9-29(10-12-36-22(32)26-4-2)15-5-7-19(17(23)13-15)27-28-20-8-6-16(30(33)34)14-18(20)24/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,25,31)(H,26,32)
- InChIKey
- DGBJBYKXBBGSAJ-UHFFFAOYSA-N
- Compound name
- 2-[3-chloro-4-[(2-chloro-4-nitrophenyl)diazenyl]-N-[2-(ethylcarbamoyloxy)ethyl]anilino]ethyl N-ethylcarbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 541.13638 | 228.5 |
[M+Na]+ | 563.11832 | 229.9 |
[M-H]- | 539.12182 | 237.0 |
[M+NH4]+ | 558.16292 | 234.2 |
[M+K]+ | 579.09226 | 224.2 |
[M+H-H2O]+ | 523.12636 | 223.3 |
[M+HCOO]- | 585.12730 | 248.8 |
[M+CH3COO]- | 599.14295 | 255.4 |
[M+Na-2H]- | 561.10377 | 230.2 |
[M]+ | 540.12855 | 237.1 |
[M]- | 540.12965 | 237.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.