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]+ 314.222696 179.6
[M+Na]+ 336.204638 183.5
[M-H]- 312.208144 184.4
[M+NH4]+ 331.249243 193.2
[M+K]+ 352.178578 181.2
[M+H-H2O]+ 296.212680 169.7
[M+HCOO]- 358.213621 199.4
[M+CH3COO]- 372.229271 214.6
[M+Na-2H]- 334.190086 178.0
[M]+ 313.21487142 182.0
[M]- 313.21596858 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.