CID 135461377
Nsc642062
Structural Information
- Molecular Formula
- C22H23N5O5S
- SMILES
- CC1=C(C2=CC=CC=C2C(=C1NC(=O)/C(=N\NC(=S)N=N)/C3C(=O)CC(CC3=O)(C)C)O)O
- InChI
- InChI=1S/C22H23N5O5S/c1-10-16(19(31)12-7-5-4-6-11(12)18(10)30)24-20(32)17(26-27-21(33)25-23)15-13(28)8-22(2,3)9-14(15)29/h4-7,15,23,30-31H,8-9H2,1-3H3,(H,24,32)(H,27,33)/b25-23?,26-17-
- InChIKey
- YEQAEYXAAMBNPW-UQFSYJPNSA-N
- Compound name
- (2Z)-N-(1,4-dihydroxy-3-methylnaphthalen-2-yl)-2-(4,4-dimethyl-2,6-dioxocyclohexyl)-2-(iminocarbamothioylhydrazinylidene)acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 470.14928 | 204.4 |
[M+Na]+ | 492.13122 | 207.9 |
[M-H]- | 468.13472 | 210.5 |
[M+NH4]+ | 487.17582 | 213.9 |
[M+K]+ | 508.10516 | 204.7 |
[M+H-H2O]+ | 452.13926 | 196.5 |
[M+HCOO]- | 514.14020 | 219.4 |
[M+CH3COO]- | 528.15585 | 250.1 |
[M+Na-2H]- | 490.11667 | 205.1 |
[M]+ | 469.14145 | 203.7 |
[M]- | 469.14255 | 203.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.