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]+ 262.155016 161.2
[M+Na]+ 284.136958 169.3
[M-H]- 260.140464 164.9
[M+NH4]+ 279.181563 176.4
[M+K]+ 300.110898 160.9
[M+H-H2O]+ 244.145000 158.2
[M+HCOO]- 306.145941 181.9
[M+CH3COO]- 320.161591 192.1
[M+Na-2H]- 282.122406 163.5
[M]+ 261.14719142 159.4
[M]- 261.14828858 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.