CID 3024941

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

Structural Information

Molecular Formula
C15H25BrN2O2
SMILES
CCCOC1=C(C(=CC(=C1)N)Br)OCCN(CC)CC
InChI
InChI=1S/C15H25BrN2O2/c1-4-8-19-14-11-12(17)10-13(16)15(14)20-9-7-18(5-2)6-3/h10-11H,4-9,17H2,1-3H3
InChIKey
DRQVJTZKYMECFJ-UHFFFAOYSA-N
Compound name
3-bromo-4-[2-(diethylamino)ethoxy]-5-propoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

344.10995 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.11723 175.4
[M+Na]+ 367.09917 183.9
[M-H]- 343.10267 181.6
[M+NH4]+ 362.14377 192.7
[M+K]+ 383.07311 172.9
[M+H-H2O]+ 327.10721 172.3
[M+HCOO]- 389.10815 197.2
[M+CH3COO]- 403.12380 217.6
[M+Na-2H]- 365.08462 177.7
[M]+ 344.10940 198.0
[M]- 344.11050 198.0
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

patents stripe