CID 3055625

2-(2,3,5,6-tetramethyl-4-nitrobenzyl)imidazoline hydrochloride

Structural Information

Molecular Formula
C14H19N3O2
SMILES
CC1=C(C(=C(C(=C1CC2=NCCN2)C)C)[N+](=O)[O-])C
InChI
InChI=1S/C14H19N3O2/c1-8-10(3)14(17(18)19)11(4)9(2)12(8)7-13-15-5-6-16-13/h5-7H2,1-4H3,(H,15,16)
InChIKey
NUZOBVMIGOUORM-UHFFFAOYSA-N
Compound name
2-[(2,3,5,6-tetramethyl-4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.14774 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.15502 161.2
[M+Na]+ 284.13696 169.3
[M-H]- 260.14046 164.9
[M+NH4]+ 279.18156 176.4
[M+K]+ 300.11090 160.9
[M+H-H2O]+ 244.14500 158.2
[M+HCOO]- 306.14594 181.9
[M+CH3COO]- 320.16159 192.1
[M+Na-2H]- 282.12241 163.5
[M]+ 261.14719 159.4
[M]- 261.14829 159.4
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.