CID 204714

Wv 0032

Structural Information

Molecular Formula
C17H27BrClNO
SMILES
CCCN(CCOC1=C(C=C(C(=C1)C)Cl)C(C)C)CCBr
InChI
InChI=1S/C17H27BrClNO/c1-5-7-20(8-6-18)9-10-21-17-11-14(4)16(19)12-15(17)13(2)3/h11-13H,5-10H2,1-4H3
InChIKey
YOPOROOGKCPJSK-UHFFFAOYSA-N
Compound name
N-(2-bromoethyl)-N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.09644 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.10372 183.2
[M+Na]+ 398.08566 193.0
[M-H]- 374.08916 189.9
[M+NH4]+ 393.13026 201.1
[M+K]+ 414.05960 180.0
[M+H-H2O]+ 358.09370 182.0
[M+HCOO]- 420.09464 198.8
[M+CH3COO]- 434.11029 221.3
[M+Na-2H]- 396.07111 183.9
[M]+ 375.09589 208.4
[M]- 375.09699 208.4
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

No patent data available for this compound.