CID 3057036

73932-56-6

Structural Information

Molecular Formula
C15H19N3O3
SMILES
CC1=C(C(=C(C(=C1C(CN2C=CN=C2)O)C)C)[N+](=O)[O-])C
InChI
InChI=1S/C15H19N3O3/c1-9-11(3)15(18(20)21)12(4)10(2)14(9)13(19)7-17-6-5-16-8-17/h5-6,8,13,19H,7H2,1-4H3
InChIKey
NQDJWMJTOWDMQA-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-(2,3,5,6-tetramethyl-4-nitrophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.14264 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.14992 166.9
[M+Na]+ 312.13186 180.0
[M+NH4]+ 307.17646 173.1
[M+K]+ 328.10580 179.2
[M-H]- 288.13536 169.9
[M+Na-2H]- 310.11731 171.7
[M]+ 289.14209 169.4
[M]- 289.14319 169.4
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.