CID 50187

F 1699

Structural Information

Molecular Formula
C18H22BrNO2
SMILES
CC(C)(CC1=CC=CC=C1)NCC2=C(C(=CC(=C2)Br)OC)O
InChI
InChI=1S/C18H22BrNO2/c1-18(2,11-13-7-5-4-6-8-13)20-12-14-9-15(19)10-16(22-3)17(14)21/h4-10,20-21H,11-12H2,1-3H3
InChIKey
HDIJXYAGGNOSSW-UHFFFAOYSA-N
Compound name
4-bromo-2-methoxy-6-[[(2-methyl-1-phenylpropan-2-yl)amino]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.0834 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.09068 180.3
[M+Na]+ 386.07262 189.4
[M-H]- 362.07612 187.8
[M+NH4]+ 381.11722 195.9
[M+K]+ 402.04656 176.8
[M+H-H2O]+ 346.08066 178.4
[M+HCOO]- 408.08160 198.9
[M+CH3COO]- 422.09725 212.7
[M+Na-2H]- 384.05807 185.2
[M]+ 363.08285 200.0
[M]- 363.08395 200.0
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.