CID 3024523

P-phenetidine, 3-bromo-beta-(diethylamino)-5-methoxy-, hydrochloride

Structural Information

Molecular Formula
C13H21BrN2O2
SMILES
CCN(CC)CCOC1=C(C=C(C=C1Br)N)OC
InChI
InChI=1S/C13H21BrN2O2/c1-4-16(5-2)6-7-18-13-11(14)8-10(15)9-12(13)17-3/h8-9H,4-7,15H2,1-3H3
InChIKey
XCKKGVCQHHFKOB-UHFFFAOYSA-N
Compound name
3-bromo-4-[2-(diethylamino)ethoxy]-5-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

316.07864 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.08592 166.3
[M+Na]+ 339.06786 175.7
[M-H]- 315.07136 172.9
[M+NH4]+ 334.11246 184.6
[M+K]+ 355.04180 165.1
[M+H-H2O]+ 299.07590 163.6
[M+HCOO]- 361.07684 188.7
[M+CH3COO]- 375.09249 212.0
[M+Na-2H]- 337.05331 169.6
[M]+ 316.07809 188.2
[M]- 316.07919 188.2
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