CID 38149
Icr 340
Structural Information
- Molecular Formula
- C20H24Cl2N4O
- SMILES
- CCN(CCCNC1=C2C(=NC3=C1C=CC(=C3)Cl)C=CC(=N2)OC)CCCl
- InChI
- InChI=1S/C20H24Cl2N4O/c1-3-26(12-9-21)11-4-10-23-19-15-6-5-14(22)13-17(15)24-16-7-8-18(27-2)25-20(16)19/h5-8,13H,3-4,9-12H2,1-2H3,(H,23,24)
- InChIKey
- RONPMXQSZMYCGD-UHFFFAOYSA-N
- Compound name
- N'-(2-chloroethyl)-N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-ethylpropane-1,3-diamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 407.14000 | 194.6 |
[M+Na]+ | 429.12194 | 203.8 |
[M-H]- | 405.12544 | 197.4 |
[M+NH4]+ | 424.16654 | 206.7 |
[M+K]+ | 445.09588 | 196.8 |
[M+H-H2O]+ | 389.12998 | 185.3 |
[M+HCOO]- | 451.13092 | 206.6 |
[M+CH3COO]- | 465.14657 | 231.4 |
[M+Na-2H]- | 427.10739 | 200.3 |
[M]+ | 406.13217 | 204.4 |
[M]- | 406.13327 | 204.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.