CID 15320492
1,3-bis[2-(4-tert-butylphenyl)-1,3,4-oxadiazo-5-yl]benzene
Structural Information
- Molecular Formula
- C30H30N4O2
- SMILES
- CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC=C3)C4=NN=C(O4)C5=CC=C(C=C5)C(C)(C)C
- InChI
- InChI=1S/C30H30N4O2/c1-29(2,3)23-14-10-19(11-15-23)25-31-33-27(35-25)21-8-7-9-22(18-21)28-34-32-26(36-28)20-12-16-24(17-13-20)30(4,5)6/h7-18H,1-6H3
- InChIKey
- FQJQNLKWTRGIEB-UHFFFAOYSA-N
- Compound name
- 2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 479.24416 | 220.0 |
[M+Na]+ | 501.22610 | 229.2 |
[M-H]- | 477.22960 | 233.6 |
[M+NH4]+ | 496.27070 | 222.9 |
[M+K]+ | 517.20004 | 224.3 |
[M+H-H2O]+ | 461.23414 | 208.6 |
[M+HCOO]- | 523.23508 | 234.9 |
[M+CH3COO]- | 537.25073 | 228.7 |
[M+Na-2H]- | 499.21155 | 219.8 |
[M]+ | 478.23633 | 225.7 |
[M]- | 478.23743 | 225.7 |