CID 60533

Tt-59-82

Structural Information

Molecular Formula
C17H27N3
SMILES
CCN(CC)CCN1C(CN=C1C)C2=CC=C(C=C2)C
InChI
InChI=1S/C17H27N3/c1-5-19(6-2)11-12-20-15(4)18-13-17(20)16-9-7-14(3)8-10-16/h7-10,17H,5-6,11-13H2,1-4H3
InChIKey
SHXVDGIRPRROHM-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[2-methyl-5-(4-methylphenyl)-4,5-dihydroimidazol-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.2205 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.22778 169.0
[M+Na]+ 296.20972 175.3
[M-H]- 272.21322 174.1
[M+NH4]+ 291.25432 185.2
[M+K]+ 312.18366 172.0
[M+H-H2O]+ 256.21776 159.6
[M+HCOO]- 318.21870 190.6
[M+CH3COO]- 332.23435 208.3
[M+Na-2H]- 294.19517 169.4
[M]+ 273.21995 171.2
[M]- 273.22105 171.2
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