CID 363152

Nsc627738

Structural Information

Molecular Formula
C19H20N2O2
SMILES
CC(C)C(C(=O)O)NCC1=C2C=CC=CC2=NC3=CC=CC=C31
InChI
InChI=1S/C19H20N2O2/c1-12(2)18(19(22)23)20-11-15-13-7-3-5-9-16(13)21-17-10-6-4-8-14(15)17/h3-10,12,18,20H,11H2,1-2H3,(H,22,23)
InChIKey
AZNTXKHUUUAGRH-UHFFFAOYSA-N
Compound name
2-(acridin-9-ylmethylamino)-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15247 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 172.1
[M+Na]+ 331.14169 178.5
[M-H]- 307.14519 174.6
[M+NH4]+ 326.18629 186.3
[M+K]+ 347.11563 173.8
[M+H-H2O]+ 291.14973 163.8
[M+HCOO]- 353.15067 190.0
[M+CH3COO]- 367.16632 209.6
[M+Na-2H]- 329.12714 177.5
[M]+ 308.15192 173.4
[M]- 308.15302 173.4
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.