CID 5767888
442867-67-6
Structural Information
- Molecular Formula
- C18H20N4O3S2
- SMILES
- CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)C(C)C)NCCO
- InChI
- InChI=1S/C18H20N4O3S2/c1-10(2)22-17(25)13(27-18(22)26)9-12-14(19-6-8-23)20-15-11(3)5-4-7-21(15)16(12)24/h4-5,7,9-10,19,23H,6,8H2,1-3H3/b13-9-
- InChIKey
- HZIBSZIEMLQZAE-LCYFTJDESA-N
- Compound name
- (5Z)-5-[[2-(2-hydroxyethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 405.10498 | 192.3 |
[M+Na]+ | 427.08692 | 201.7 |
[M-H]- | 403.09042 | 194.8 |
[M+NH4]+ | 422.13152 | 202.6 |
[M+K]+ | 443.06086 | 193.5 |
[M+H-H2O]+ | 387.09496 | 185.6 |
[M+HCOO]- | 449.09590 | 198.4 |
[M+CH3COO]- | 463.11155 | 222.6 |
[M+Na-2H]- | 425.07237 | 188.0 |
[M]+ | 404.09715 | 195.6 |
[M]- | 404.09825 | 195.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.