CID 498412

Nsc627885

Structural Information

Molecular Formula
C19H20N3O3
SMILES
C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)NC(CCC(=O)N)C(=O)O
InChI
InChI=1S/C19H19N3O3/c1-22-15-8-4-2-6-12(15)18(13-7-3-5-9-16(13)22)21-14(19(24)25)10-11-17(20)23/h2-9,14H,10-11H2,1H3,(H3,20,23,24,25)/p+1
InChIKey
AGHKUORAGMYTNI-UHFFFAOYSA-O
Compound name
5-amino-2-[(10-methylacridin-10-ium-9-yl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.15045 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15773 178.7
[M+Na]+ 361.13967 184.7
[M-H]- 337.14317 181.3
[M+NH4]+ 356.18427 190.8
[M+K]+ 377.11361 174.6
[M+H-H2O]+ 321.14771 172.9
[M+HCOO]- 383.14865 196.9
[M+CH3COO]- 397.16430 209.5
[M+Na-2H]- 359.12512 185.5
[M]+ 338.14990 178.3
[M]- 338.15100 178.3
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.