CID 53339

O-(9-acridinylamino)carbanilic acid methyl ester hydrochloride

Structural Information

Molecular Formula
C21H17N3O2
SMILES
COC(=O)NC1=CC=CC=C1NC2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C21H17N3O2/c1-26-21(25)24-19-13-7-6-12-18(19)23-20-14-8-2-4-10-16(14)22-17-11-5-3-9-15(17)20/h2-13H,1H3,(H,22,23)(H,24,25)
InChIKey
SCGALWCUJWXAMZ-UHFFFAOYSA-N
Compound name
methyl N-[2-(acridin-9-ylamino)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

343.13208 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.13936 178.4
[M+Na]+ 366.12130 186.3
[M-H]- 342.12480 185.7
[M+NH4]+ 361.16590 191.4
[M+K]+ 382.09524 180.5
[M+H-H2O]+ 326.12934 168.0
[M+HCOO]- 388.13028 201.3
[M+CH3COO]- 402.14593 189.0
[M+Na-2H]- 364.10675 187.9
[M]+ 343.13153 180.2
[M]- 343.13263 180.2
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.