CID 71315293

(e)-n-propan-2-yl-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]prop-2-en-1-amine

Structural Information

Molecular Formula
C18H29NO3
SMILES
CC(C)NC/C=C/OC1=CC=C(C=C1)COCCOC(C)C
InChI
InChI=1S/C18H29NO3/c1-15(2)19-10-5-11-22-18-8-6-17(7-9-18)14-20-12-13-21-16(3)4/h5-9,11,15-16,19H,10,12-14H2,1-4H3/b11-5+
InChIKey
JZRKUNUKKCUCNI-VZUCSPMQSA-N
Compound name
(E)-N-propan-2-yl-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

307.21475 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.222026 178.5
[M+Na]+ 330.203968 181.7
[M-H]- 306.207474 180.7
[M+NH4]+ 325.248573 193.0
[M+K]+ 346.177908 179.5
[M+H-H2O]+ 290.212010 170.5
[M+HCOO]- 352.212951 199.9
[M+CH3COO]- 366.228601 210.6
[M+Na-2H]- 328.189416 178.9
[M]+ 307.21420142 183.5
[M]- 307.21529858 183.5
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