CID 60540

Tt-60-82

Structural Information

Molecular Formula
C17H27N3O
SMILES
CCN(CC)CCN1C(CN=C1C)C2=CC=C(C=C2)OC
InChI
InChI=1S/C17H27N3O/c1-5-19(6-2)11-12-20-14(3)18-13-17(20)15-7-9-16(21-4)10-8-15/h7-10,17H,5-6,11-13H2,1-4H3
InChIKey
MIQITQQMWFAPGM-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[5-(4-methoxyphenyl)-2-methyl-4,5-dihydroimidazol-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.21542 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.22270 172.1
[M+Na]+ 312.20464 178.3
[M-H]- 288.20814 177.2
[M+NH4]+ 307.24924 187.5
[M+K]+ 328.17858 175.6
[M+H-H2O]+ 272.21268 162.6
[M+HCOO]- 334.21362 193.9
[M+CH3COO]- 348.22927 210.3
[M+Na-2H]- 310.19009 172.6
[M]+ 289.21487 175.8
[M]- 289.21597 175.8
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

patents stripe