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 177.1
[M+Na]+ 365.13729 184.4
[M-H]- 341.14079 184.3
[M+NH4]+ 360.18189 189.9
[M+K]+ 381.11123 178.0
[M+H-H2O]+ 325.14533 166.8
[M+HCOO]- 387.14627 200.9
[M+CH3COO]- 401.16192 187.4
[M+Na-2H]- 363.12274 187.4
[M]+ 342.14752 177.0
[M]- 342.14862 177.1
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.