CID 3007531

(z)-3-imidazol-1-yl-n,n,2-trimethyl-3-(2-sec-butoxyphenyl)prop-2-en-1-amine

Structural Information

Molecular Formula
C19H27N3O
SMILES
CCC(C)OC1=CC=CC=C1/C(=C(\C)/CN(C)C)/N2C=CN=C2
InChI
InChI=1S/C19H27N3O/c1-6-16(3)23-18-10-8-7-9-17(18)19(15(2)13-21(4)5)22-12-11-20-14-22/h7-12,14,16H,6,13H2,1-5H3/b19-15-
InChIKey
WYROFNMBQHIRDO-CYVLTUHYSA-N
Compound name
(Z)-3-(2-butan-2-yloxyphenyl)-3-imidazol-1-yl-N,N,2-trimethylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.21542 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.22270 179.6
[M+Na]+ 336.20464 183.5
[M-H]- 312.20814 184.4
[M+NH4]+ 331.24924 193.2
[M+K]+ 352.17858 181.2
[M+H-H2O]+ 296.21268 169.7
[M+HCOO]- 358.21362 199.4
[M+CH3COO]- 372.22927 214.6
[M+Na-2H]- 334.19009 178.0
[M]+ 313.21487 182.0
[M]- 313.21597 182.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.