CID 498403

Nsc627747

Structural Information

Molecular Formula
C20H23N2O2
SMILES
CC(C)C(C(=O)O)NCC1=C2C=CC=CC2=[N+](C3=CC=CC=C31)C
InChI
InChI=1S/C20H22N2O2/c1-13(2)19(20(23)24)21-12-16-14-8-4-6-10-17(14)22(3)18-11-7-5-9-15(16)18/h4-11,13,19,21H,12H2,1-3H3/p+1
InChIKey
RCYZMFAJYRPHTH-UHFFFAOYSA-O
Compound name
3-methyl-2-[(10-methylacridin-10-ium-9-yl)methylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.17596 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.18324 178.7
[M+Na]+ 346.16518 185.1
[M-H]- 322.16868 181.6
[M+NH4]+ 341.20978 192.2
[M+K]+ 362.13912 174.8
[M+H-H2O]+ 306.17322 173.1
[M+HCOO]- 368.17416 195.8
[M+CH3COO]- 382.18981 206.6
[M+Na-2H]- 344.15063 185.0
[M]+ 323.17541 179.4
[M]- 323.17651 179.4
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.