CID 45012

63886-99-7

Structural Information

Molecular Formula
C21H27BrN2O2
SMILES
CCCN(CCC)CCOC1=C(C=C(C=C1C(=O)N)Br)C2=CC=CC=C2
InChI
InChI=1S/C21H27BrN2O2/c1-3-10-24(11-4-2)12-13-26-20-18(16-8-6-5-7-9-16)14-17(22)15-19(20)21(23)25/h5-9,14-15H,3-4,10-13H2,1-2H3,(H2,23,25)
InChIKey
MGVXLAPXABNABN-UHFFFAOYSA-N
Compound name
5-bromo-2-[2-(dipropylamino)ethoxy]-3-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.12558 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.13286 196.0
[M+Na]+ 441.11480 202.8
[M-H]- 417.11830 204.7
[M+NH4]+ 436.15940 209.7
[M+K]+ 457.08874 190.7
[M+H-H2O]+ 401.12284 191.8
[M+HCOO]- 463.12378 216.4
[M+CH3COO]- 477.13943 230.2
[M+Na-2H]- 439.10025 196.5
[M]+ 418.12503 216.9
[M]- 418.12613 216.9
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.