CID 16956
Ethanaminium, n-[4-[bis[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-n-ethyl-
Structural Information
- Molecular Formula
- C31H42N3
- SMILES
- CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=C(C=C3)N(CC)CC
- InChI
- InChI=1S/C31H42N3/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6/h13-24H,7-12H2,1-6H3/q+1
- InChIKey
- VYYRJGKHDDYUGK-UHFFFAOYSA-N
- Compound name
- [4-[bis[4-(diethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 457.34514 | 225.1 |
[M+Na]+ | 479.32708 | 224.8 |
[M-H]- | 455.33058 | 236.4 |
[M+NH4]+ | 474.37168 | 233.6 |
[M+K]+ | 495.30102 | 214.8 |
[M+H-H2O]+ | 439.33512 | 215.3 |
[M+HCOO]- | 501.33606 | 246.6 |
[M+CH3COO]- | 515.35171 | 247.5 |
[M+Na-2H]- | 477.31253 | 223.0 |
[M]+ | 456.33731 | 225.0 |
[M]- | 456.33841 | 225.0 |
Literature stripe
No literature data available for this compound.