CID 148993

Brn 0495977

Structural Information

Molecular Formula
C21H18N4O
SMILES
CNC(=O)NC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C21H18N4O/c1-22-21(26)24-15-12-10-14(11-13-15)23-20-16-6-2-4-8-18(16)25-19-9-5-3-7-17(19)20/h2-13H,1H3,(H,23,25)(H2,22,24,26)
InChIKey
VZCFVDFGLKRPNA-UHFFFAOYSA-N
Compound name
1-[4-(acridin-9-ylamino)phenyl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

342.14807 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15535 181.4
[M+Na]+ 365.13729 197.1
[M+NH4]+ 360.18189 190.1
[M+K]+ 381.11123 187.4
[M-H]- 341.14079 189.0
[M+Na-2H]- 363.12274 191.8
[M]+ 342.14752 185.9
[M]- 342.14862 185.9
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

No patent data available for this compound.