CID 3077064
133381-40-5
Structural Information
- Molecular Formula
- C28H26N4O2
- SMILES
- CC1=C(C2=CC=CC=C2N1)C=NC3=CC=CC=C3C4=NN(C(C4)C5=CC=CC=C5OC)C(=O)C
- InChI
- InChI=1S/C28H26N4O2/c1-18-23(20-10-4-8-14-25(20)30-18)17-29-24-13-7-5-11-21(24)26-16-27(32(31-26)19(2)33)22-12-6-9-15-28(22)34-3/h4-15,17,27,30H,16H2,1-3H3
- InChIKey
- DBKOLEBJLYXGRM-UHFFFAOYSA-N
- Compound name
- 1-[3-(2-methoxyphenyl)-5-[2-[(2-methyl-1H-indol-3-yl)methylideneamino]phenyl]-3,4-dihydropyrazol-2-yl]ethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 451.21285 | 211.9 |
[M+Na]+ | 473.19479 | 220.0 |
[M-H]- | 449.19829 | 223.1 |
[M+NH4]+ | 468.23939 | 220.7 |
[M+K]+ | 489.16873 | 212.1 |
[M+H-H2O]+ | 433.20283 | 200.2 |
[M+HCOO]- | 495.20377 | 231.8 |
[M+CH3COO]- | 509.21942 | 220.6 |
[M+Na-2H]- | 471.18024 | 209.3 |
[M]+ | 450.20502 | 214.6 |
[M]- | 450.20612 | 214.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.