CID 135451006
Urea, n-(6,7-dichloro-3-cyano-1,4-dioxido-2-quinoxalinyl)-n'-[3-(dimethylamino)propyl]-
Structural Information
- Molecular Formula
- C15H16Cl2N6O3
- SMILES
- CN(C)CCCNC(=O)NC1=[N+](C2=CC(=C(C=C2[N+](=C1C#N)[O-])Cl)Cl)[O-]
- InChI
- InChI=1S/C15H16Cl2N6O3/c1-21(2)5-3-4-19-15(24)20-14-13(8-18)22(25)11-6-9(16)10(17)7-12(11)23(14)26/h6-7H,3-5H2,1-2H3,(H2,19,20,24)
- InChIKey
- DQZDJFNNWMYKOR-UHFFFAOYSA-N
- Compound name
- 1-(6,7-dichloro-3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-3-[3-(dimethylamino)propyl]urea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 399.07338 | 197.0 |
[M+Na]+ | 421.05532 | 204.0 |
[M-H]- | 397.05882 | 195.1 |
[M+NH4]+ | 416.09992 | 203.9 |
[M+K]+ | 437.02926 | 190.7 |
[M+H-H2O]+ | 381.06336 | 192.0 |
[M+HCOO]- | 443.06430 | 204.4 |
[M+CH3COO]- | 457.07995 | 220.0 |
[M+Na-2H]- | 419.04077 | 200.5 |
[M]+ | 398.06555 | 192.0 |
[M]- | 398.06665 | 192.0 |
Literature stripe
Patent stripe
No patent data available for this compound.