CID 9842609

Sb 452533

Structural Information

Molecular Formula
C18H22BrN3O
SMILES
CCN(CCNC(=O)NC1=CC=CC=C1Br)C2=CC=CC(=C2)C
InChI
InChI=1S/C18H22BrN3O/c1-3-22(15-8-6-7-14(2)13-15)12-11-20-18(23)21-17-10-5-4-9-16(17)19/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23)
InChIKey
IFJYEGJUQIBBQV-UHFFFAOYSA-N
Compound name
1-(2-bromophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

57
Patents

375.09464 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.10192 180.8
[M+Na]+ 398.08386 182.8
[M+NH4]+ 393.12846 184.7
[M+K]+ 414.05780 181.5
[M-H]- 374.08736 184.7
[M+Na-2H]- 396.06931 185.4
[M]+ 375.09409 180.9
[M]- 375.09519 180.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe