CID 3085556
9,10-anthracenedione, 1,4-bis[[[4-(hydroxymethyl)cyclohexyl]methyl]amino]-
Structural Information
- Molecular Formula
- C30H38N2O4
- SMILES
- C1CC(CCC1CNC2=C3C(=C(C=C2)NCC4CCC(CC4)CO)C(=O)C5=CC=CC=C5C3=O)CO
- InChI
- InChI=1S/C30H38N2O4/c33-17-21-9-5-19(6-10-21)15-31-25-13-14-26(32-16-20-7-11-22(18-34)12-8-20)28-27(25)29(35)23-3-1-2-4-24(23)30(28)36/h1-4,13-14,19-22,31-34H,5-12,15-18H2
- InChIKey
- WYCMPIOTZTUXJF-UHFFFAOYSA-N
- Compound name
- 1,4-bis[[4-(hydroxymethyl)cyclohexyl]methylamino]anthracene-9,10-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 491.29045 | 216.4 |
[M+Na]+ | 513.27239 | 216.0 |
[M-H]- | 489.27589 | 221.9 |
[M+NH4]+ | 508.31699 | 222.5 |
[M+K]+ | 529.24633 | 209.2 |
[M+H-H2O]+ | 473.28043 | 205.2 |
[M+HCOO]- | 535.28137 | 225.3 |
[M+CH3COO]- | 549.29702 | 245.7 |
[M+Na-2H]- | 511.25784 | 213.8 |
[M]+ | 490.28262 | 207.7 |
[M]- | 490.28372 | 207.7 |
Literature stripe
No literature data available for this compound.