CID 299427

Urea, 1-(9-acridinyl)-3-(2-bromoallyl)-

Structural Information

Molecular Formula
C17H14BrN3O
SMILES
C=C(CNC(=O)NC1=C2C=CC=CC2=NC3=CC=CC=C31)Br
InChI
InChI=1S/C17H14BrN3O/c1-11(18)10-19-17(22)21-16-12-6-2-4-8-14(12)20-15-9-5-3-7-13(15)16/h2-9H,1,10H2,(H2,19,20,21,22)
InChIKey
PMFFHYXVVVBLAK-UHFFFAOYSA-N
Compound name
1-acridin-9-yl-3-(2-bromoprop-2-enyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.032 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.03928 169.6
[M+Na]+ 378.02122 173.8
[M+NH4]+ 373.06582 174.0
[M+K]+ 393.99516 172.2
[M-H]- 354.02472 171.7
[M+Na-2H]- 376.00667 173.6
[M]+ 355.03145 169.5
[M]- 355.03255 169.5
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.