CID 3062352

97833-70-0

Structural Information

Molecular Formula
C16H27BrN2O2
SMILES
CCCCOC1=C(C(=CC(=C1)N)Br)OCCN(CC)CC
InChI
InChI=1S/C16H27BrN2O2/c1-4-7-9-20-15-12-13(18)11-14(17)16(15)21-10-8-19(5-2)6-3/h11-12H,4-10,18H2,1-3H3
InChIKey
PJIHWXSQPSJVFM-UHFFFAOYSA-N
Compound name
3-bromo-5-butoxy-4-[2-(diethylamino)ethoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

358.12558 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.13286 179.9
[M+Na]+ 381.11480 188.1
[M-H]- 357.11830 186.0
[M+NH4]+ 376.15940 196.6
[M+K]+ 397.08874 176.8
[M+H-H2O]+ 341.12284 176.7
[M+HCOO]- 403.12378 201.4
[M+CH3COO]- 417.13943 220.4
[M+Na-2H]- 379.10025 181.7
[M]+ 358.12503 202.8
[M]- 358.12613 202.8
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