CID 71306922
Vat yellow 10
Structural Information
- Molecular Formula
- C68H42N6O8
- SMILES
- C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC(=O)C5=CC=C(C=C5)C6=CC=C(C=C6)N=NC7=CC=C(C=C7)C8=CC=C(C=C8)C(=O)NC9=CC=CC1=C9C(=O)C2=C(C1=O)C(=CC=C2)NC(=O)C1=CC=CC=C1
- InChI
- InChI=1S/C68H42N6O8/c75-61-51-17-9-21-55(59(51)63(77)49-15-7-19-53(57(49)61)69-65(79)43-11-3-1-4-12-43)71-67(81)45-27-23-39(24-28-45)41-31-35-47(36-32-41)73-74-48-37-33-42(34-38-48)40-25-29-46(30-26-40)68(82)72-56-22-10-18-52-60(56)64(78)50-16-8-20-54(58(50)62(52)76)70-66(80)44-13-5-2-6-14-44/h1-38H,(H,69,79)(H,70,80)(H,71,81)(H,72,82)
- InChIKey
- WXNSNFJLYJBMBT-UHFFFAOYSA-N
- Compound name
- N-(5-benzamido-9,10-dioxoanthracen-1-yl)-4-[4-[[4-[4-[(5-benzamido-9,10-dioxoanthracen-1-yl)carbamoyl]phenyl]phenyl]diazenyl]phenyl]benzamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1071.3137 | 293.9 |
[M+Na]+ | 1093.2956 | 306.2 |
[M-H]- | 1069.2991 | 301.3 |
[M+NH4]+ | 1088.3402 | 301.6 |
[M+K]+ | 1109.2696 | 295.1 |
[M+H-H2O]+ | 1053.3037 | 274.5 |
[M+HCOO]- | 1115.3046 | 301.8 |
[M+CH3COO]- | 1129.3203 | 303.6 |
[M+Na-2H]- | 1091.2811 | 324.5 |
[M]+ | 1070.3059 | 346.0 |
[M]- | 1070.3069 | 346.0 |
Literature stripe
No literature data available for this compound.