CID 488881
(1r,2s)-1-[[4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-pyrimidin-2-yl]amino]indan-2-ol
Structural Information
- Molecular Formula
- C18H18N6O3
- SMILES
- CC1=C(C(=NC(=N1)N[C@H]2[C@H](CC3=CC=CC=C23)O)N4C=CN=C4C)[N+](=O)[O-]
- InChI
- InChI=1S/C18H18N6O3/c1-10-16(24(26)27)17(23-8-7-19-11(23)2)22-18(20-10)21-15-13-6-4-3-5-12(13)9-14(15)25/h3-8,14-15,25H,9H2,1-2H3,(H,20,21,22)/t14-,15+/m0/s1
- InChIKey
- QCXWIYNRSKKCTG-LSDHHAIUSA-N
- Compound name
- (1R,2S)-1-[[4-methyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 367.15132 | 183.1 |
[M+Na]+ | 389.13326 | 190.2 |
[M-H]- | 365.13676 | 189.3 |
[M+NH4]+ | 384.17786 | 192.7 |
[M+K]+ | 405.10720 | 180.6 |
[M+H-H2O]+ | 349.14130 | 177.2 |
[M+HCOO]- | 411.14224 | 202.4 |
[M+CH3COO]- | 425.15789 | 211.9 |
[M+Na-2H]- | 387.11871 | 186.8 |
[M]+ | 366.14349 | 181.5 |
[M]- | 366.14459 | 181.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.