CID 488913

4-(2-ethylimidazol-1-yl)-n-indan-2-yl-6-methyl-5-nitro-pyrimidin-2-amine

Structural Information

Molecular Formula
C19H20N6O2
SMILES
CCC1=NC=CN1C2=NC(=NC(=C2[N+](=O)[O-])C)NC3CC4=CC=CC=C4C3
InChI
InChI=1S/C19H20N6O2/c1-3-16-20-8-9-24(16)18-17(25(26)27)12(2)21-19(23-18)22-15-10-13-6-4-5-7-14(13)11-15/h4-9,15H,3,10-11H2,1-2H3,(H,21,22,23)
InChIKey
QUDFHYLIBYJIMD-UHFFFAOYSA-N
Compound name
N-(2,3-dihydro-1H-inden-2-yl)-4-(2-ethylimidazol-1-yl)-6-methyl-5-nitropyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.16476 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.17204 184.7
[M+Na]+ 387.15398 191.3
[M-H]- 363.15748 191.5
[M+NH4]+ 382.19858 194.9
[M+K]+ 403.12792 181.5
[M+H-H2O]+ 347.16202 178.0
[M+HCOO]- 409.16296 205.0
[M+CH3COO]- 423.17861 213.9
[M+Na-2H]- 385.13943 188.5
[M]+ 364.16421 183.4
[M]- 364.16531 183.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.