CID 488907

(4-fluoro-indan-1-yl)-[4-methyl-6-(2-methyl-imidazol-1-yl)-5-nitro-pyrimidin-2-yl]-amine

Structural Information

Molecular Formula
C18H17FN6O2
SMILES
CC1=C(C(=NC(=N1)NC2CCC3=C2C=CC=C3F)N4C=CN=C4C)[N+](=O)[O-]
InChI
InChI=1S/C18H17FN6O2/c1-10-16(25(26)27)17(24-9-8-20-11(24)2)23-18(21-10)22-15-7-6-12-13(15)4-3-5-14(12)19/h3-5,8-9,15H,6-7H2,1-2H3,(H,21,22,23)
InChIKey
VONAOBIWXKBIDS-UHFFFAOYSA-N
Compound name
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1397 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.14698 183.4
[M+Na]+ 391.12892 191.4
[M-H]- 367.13242 189.4
[M+NH4]+ 386.17352 193.7
[M+K]+ 407.10286 181.3
[M+H-H2O]+ 351.13696 176.3
[M+HCOO]- 413.13790 203.0
[M+CH3COO]- 427.15355 214.7
[M+Na-2H]- 389.11437 186.5
[M]+ 368.13915 181.3
[M]- 368.14025 181.3
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.