CID 498416

Nsc627887

Structural Information

Molecular Formula
C19H21N2O2
SMILES
CC(C)C(C(=O)O)NC1=C2C=CC=CC2=[N+](C3=CC=CC=C31)C
InChI
InChI=1S/C19H20N2O2/c1-12(2)17(19(22)23)20-18-13-8-4-6-10-15(13)21(3)16-11-7-5-9-14(16)18/h4-12,17H,1-3H3,(H,22,23)/p+1
InChIKey
VAEBVIDMICBYEA-UHFFFAOYSA-O
Compound name
3-methyl-2-[(10-methylacridin-10-ium-9-yl)amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1603 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.16758 173.9
[M+Na]+ 332.14952 180.8
[M-H]- 308.15302 177.0
[M+NH4]+ 327.19412 188.0
[M+K]+ 348.12346 170.7
[M+H-H2O]+ 292.15756 168.5
[M+HCOO]- 354.15850 191.3
[M+CH3COO]- 368.17415 203.6
[M+Na-2H]- 330.13497 180.8
[M]+ 309.15975 174.3
[M]- 309.16085 174.3
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.