CID 149541

1-(p-(9-acridinylamino)phenyl)-3-phenylurea hydrochloride

Structural Information

Molecular Formula
C26H20N4O
SMILES
C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53
InChI
InChI=1S/C26H20N4O/c31-26(28-18-8-2-1-3-9-18)29-20-16-14-19(15-17-20)27-25-21-10-4-6-12-23(21)30-24-13-7-5-11-22(24)25/h1-17H,(H,27,30)(H2,28,29,31)
InChIKey
GZNSAGOUDBUPIM-UHFFFAOYSA-N
Compound name
1-[4-(acridin-9-ylamino)phenyl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

404.1637 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.17098 192.1
[M+Na]+ 427.15292 198.2
[M-H]- 403.15642 201.7
[M+NH4]+ 422.19752 201.4
[M+K]+ 443.12686 190.4
[M+H-H2O]+ 387.16096 180.1
[M+HCOO]- 449.16190 215.0
[M+CH3COO]- 463.17755 200.9
[M+Na-2H]- 425.13837 202.4
[M]+ 404.16315 190.9
[M]- 404.16425 190.9
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.