CID 3087645
1h-isoindole-1,3(2h)-dione, 2-((1-(4-morpholinylmethyl)-1h-benzimidazol-2-yl)methyl)-5-nitro-
Structural Information
- Molecular Formula
- C21H19N5O5
- SMILES
- C1COCCN1CN2C3=CC=CC=C3N=C2CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]
- InChI
- InChI=1S/C21H19N5O5/c27-20-15-6-5-14(26(29)30)11-16(15)21(28)24(20)12-19-22-17-3-1-2-4-18(17)25(19)13-23-7-9-31-10-8-23/h1-6,11H,7-10,12-13H2
- InChIKey
- FOAMWBBCWPNIPF-UHFFFAOYSA-N
- Compound name
- 2-[[1-(morpholin-4-ylmethyl)benzimidazol-2-yl]methyl]-5-nitroisoindole-1,3-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 422.14588 | 197.5 |
[M+Na]+ | 444.12782 | 203.7 |
[M-H]- | 420.13132 | 205.2 |
[M+NH4]+ | 439.17242 | 204.5 |
[M+K]+ | 460.10176 | 195.1 |
[M+H-H2O]+ | 404.13586 | 190.8 |
[M+HCOO]- | 466.13680 | 212.3 |
[M+CH3COO]- | 480.15245 | 220.2 |
[M+Na-2H]- | 442.11327 | 199.8 |
[M]+ | 421.13805 | 196.7 |
[M]- | 421.13915 | 196.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.