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]+ 309.159746 172.1
[M+Na]+ 331.141688 178.5
[M-H]- 307.145194 174.6
[M+NH4]+ 326.186293 186.3
[M+K]+ 347.115628 173.8
[M+H-H2O]+ 291.149730 163.8
[M+HCOO]- 353.150671 190.0
[M+CH3COO]- 367.166321 209.6
[M+Na-2H]- 329.127136 177.5
[M]+ 308.15192142 173.4
[M]- 308.15301858 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.