CID 14400758
Brn 5663909
Structural Information
- Molecular Formula
- C22H22Cl2N6O3
- SMILES
- C1=CC(=CC=C1/C=N/NC(=O)CN2C=C(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])N(CCCl)CCCl
- InChI
- InChI=1S/C22H22Cl2N6O3/c23-9-11-29(12-10-24)19-5-1-17(2-6-19)13-26-27-22(31)15-28-14-21(25-16-28)18-3-7-20(8-4-18)30(32)33/h1-8,13-14,16H,9-12,15H2,(H,27,31)/b26-13+
- InChIKey
- CWNDQDVPROAZOL-LGJNPRDNSA-N
- Compound name
- N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-[4-(4-nitrophenyl)imidazol-1-yl]acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 489.12032 | 217.1 |
[M+Na]+ | 511.10226 | 219.8 |
[M-H]- | 487.10576 | 224.9 |
[M+NH4]+ | 506.14686 | 223.2 |
[M+K]+ | 527.07620 | 210.1 |
[M+H-H2O]+ | 471.11030 | 209.8 |
[M+HCOO]- | 533.11124 | 233.4 |
[M+CH3COO]- | 547.12689 | 238.9 |
[M+Na-2H]- | 509.08771 | 219.4 |
[M]+ | 488.11249 | 221.3 |
[M]- | 488.11359 | 221.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.