CID 6063855

1-(3-bromoallyl)-3-(9-acridinyl)urea

Structural Information

Molecular Formula
C17H14BrN3O
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(=O)NC/C=C/Br
InChI
InChI=1S/C17H14BrN3O/c18-10-5-11-19-17(22)21-16-12-6-1-3-8-14(12)20-15-9-4-2-7-13(15)16/h1-10H,11H2,(H2,19,20,21,22)/b10-5+
InChIKey
DBXNUHUBEPEQCO-BJMVGYQFSA-N
Compound name
1-acridin-9-yl-3-[(E)-3-bromoprop-2-enyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.032 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.03928 171.2
[M+Na]+ 378.02122 175.7
[M+NH4]+ 373.06582 175.7
[M+K]+ 393.99516 173.3
[M-H]- 354.02472 173.4
[M+Na-2H]- 376.00667 175.3
[M]+ 355.03145 171.2
[M]- 355.03255 171.2
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

No patent data available for this compound.