CID 22222458
299916-98-6
Structural Information
- Molecular Formula
- C21H20N4O2
- SMILES
- C1=CC=C(C=C1)COCN2C=CC3=C2C(=NC(=N3)N)OCC4=CC=CC=C4
- InChI
- InChI=1S/C21H20N4O2/c22-21-23-18-11-12-25(15-26-13-16-7-3-1-4-8-16)19(18)20(24-21)27-14-17-9-5-2-6-10-17/h1-12H,13-15H2,(H2,22,23,24)
- InChIKey
- CWFBINLAKHISQU-UHFFFAOYSA-N
- Compound name
- 4-phenylmethoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-2-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 361.16591 | 184.5 |
[M+Na]+ | 383.14785 | 193.0 |
[M-H]- | 359.15135 | 191.2 |
[M+NH4]+ | 378.19245 | 194.8 |
[M+K]+ | 399.12179 | 186.3 |
[M+H-H2O]+ | 343.15589 | 172.7 |
[M+HCOO]- | 405.15683 | 206.3 |
[M+CH3COO]- | 419.17248 | 194.5 |
[M+Na-2H]- | 381.13330 | 189.9 |
[M]+ | 360.15808 | 187.9 |
[M]- | 360.15918 | 187.9 |
Literature stripe
No literature data available for this compound.