CID 58076

P-(9-acridinylamino)carbanilic acid

Structural Information

Molecular Formula
C20H15N3O2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)NC(=O)O
InChI
InChI=1S/C20H15N3O2/c24-20(25)22-14-11-9-13(10-12-14)21-19-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)19/h1-12,22H,(H,21,23)(H,24,25)
InChIKey
MANWWTFBTMXOOA-UHFFFAOYSA-N
Compound name
[4-(acridin-9-ylamino)phenyl]carbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.11642 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12370 172.9
[M+Na]+ 352.10564 180.8
[M-H]- 328.10914 179.1
[M+NH4]+ 347.15024 185.7
[M+K]+ 368.07958 174.4
[M+H-H2O]+ 312.11368 163.2
[M+HCOO]- 374.11462 194.7
[M+CH3COO]- 388.13027 183.3
[M+Na-2H]- 350.09109 182.7
[M]+ 329.11587 172.8
[M]- 329.11697 172.8
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.