CID 3062727

P-phenetidine, 3-bromo-beta-(diethylamino)-5-hexyloxy-, dihydrochloride

Structural Information

Molecular Formula
C18H31BrN2O2
SMILES
CCCCCCOC1=C(C(=CC(=C1)N)Br)OCCN(CC)CC
InChI
InChI=1S/C18H31BrN2O2/c1-4-7-8-9-11-22-17-14-15(20)13-16(19)18(17)23-12-10-21(5-2)6-3/h13-14H,4-12,20H2,1-3H3
InChIKey
BFNZFLKBNYBARE-UHFFFAOYSA-N
Compound name
3-bromo-4-[2-(diethylamino)ethoxy]-5-hexoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

386.1569 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.16418 189.0
[M+Na]+ 409.14612 196.2
[M-H]- 385.14962 194.6
[M+NH4]+ 404.19072 204.6
[M+K]+ 425.12006 184.5
[M+H-H2O]+ 369.15416 185.3
[M+HCOO]- 431.15510 209.7
[M+CH3COO]- 445.17075 225.9
[M+Na-2H]- 407.13157 189.7
[M]+ 386.15635 212.5
[M]- 386.15745 212.5
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