CID 3073576
150064-14-5
Structural Information
- Molecular Formula
- C20H25N5O3S
- SMILES
- CC1=CC2=C(C(=O)N1C)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NC=CS4
- InChI
- InChI=1S/C20H25N5O3S/c1-14-13-15-16(18(27)22(14)2)19(28)25(17(15)26)7-4-3-6-23-8-10-24(11-9-23)20-21-5-12-29-20/h5,12-13H,3-4,6-11H2,1-2H3
- InChIKey
- QYCIEXMLMQWAIB-UHFFFAOYSA-N
- Compound name
- 5,6-dimethyl-2-[4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butyl]pyrrolo[3,4-c]pyridine-1,3,4-trione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 416.17510 | 202.0 |
[M+Na]+ | 438.15704 | 211.6 |
[M-H]- | 414.16054 | 207.1 |
[M+NH4]+ | 433.20164 | 211.4 |
[M+K]+ | 454.13098 | 205.2 |
[M+H-H2O]+ | 398.16508 | 192.9 |
[M+HCOO]- | 460.16602 | 211.2 |
[M+CH3COO]- | 474.18167 | 210.2 |
[M+Na-2H]- | 436.14249 | 194.6 |
[M]+ | 415.16727 | 205.4 |
[M]- | 415.16837 | 205.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.