CID 103134
Einecs 265-368-9
Structural Information
- Molecular Formula
- C25H20N2O3S2
- SMILES
- CC1=C(C2=C(C=C1)C=C(C=C2)C3=CC=C(C=C3)C4=NC5=C(S4)C(=C(C=C5)C)S(=O)(=O)O)N
- InChI
- InChI=1S/C25H20N2O3S2/c1-14-3-5-19-13-18(10-11-20(19)22(14)26)16-6-8-17(9-7-16)25-27-21-12-4-15(2)24(23(21)31-25)32(28,29)30/h3-13H,26H2,1-2H3,(H,28,29,30)
- InChIKey
- YQFLNILRSXUCDC-UHFFFAOYSA-N
- Compound name
- 2-[4-(5-amino-6-methylnaphthalen-2-yl)phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 461.09880 | 208.8 |
[M+Na]+ | 483.08074 | 220.7 |
[M-H]- | 459.08424 | 218.2 |
[M+NH4]+ | 478.12534 | 219.9 |
[M+K]+ | 499.05468 | 212.0 |
[M+H-H2O]+ | 443.08878 | 201.7 |
[M+HCOO]- | 505.08972 | 219.2 |
[M+CH3COO]- | 519.10537 | 218.1 |
[M+Na-2H]- | 481.06619 | 211.1 |
[M]+ | 460.09097 | 214.7 |
[M]- | 460.09207 | 214.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.