CID 432277
T4tug0wr8v
Structural Information
- Molecular Formula
- C30H34F6N2O
- SMILES
- CCCCN(CCCC)CCC(C1=CC(=NC(=C1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)O
- InChI
- InChI=1S/C30H34F6N2O/c1-3-5-16-38(17-6-4-2)18-15-28(39)23-19-26(21-7-11-24(12-8-21)29(31,32)33)37-27(20-23)22-9-13-25(14-10-22)30(34,35)36/h7-14,19-20,28,39H,3-6,15-18H2,1-2H3
- InChIKey
- UUYJAPDCVNIBPT-UHFFFAOYSA-N
- Compound name
- 1-[2,6-bis[4-(trifluoromethyl)phenyl]pyridin-4-yl]-3-(dibutylamino)propan-1-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 553.26478 | 237.4 |
[M+Na]+ | 575.24672 | 241.6 |
[M-H]- | 551.25022 | 236.6 |
[M+NH4]+ | 570.29132 | 240.0 |
[M+K]+ | 591.22066 | 233.3 |
[M+H-H2O]+ | 535.25476 | 220.6 |
[M+HCOO]- | 597.25570 | 245.3 |
[M+CH3COO]- | 611.27135 | 255.9 |
[M+Na-2H]- | 573.23217 | 232.6 |
[M]+ | 552.25695 | 232.7 |
[M]- | 552.25805 | 232.7 |