CID 363150

Nsc627734

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CC(C)C(C(=O)O)NC1=C2C=CC=CC2=NC3=CC=CC=C31
InChI
InChI=1S/C18H18N2O2/c1-11(2)16(18(21)22)20-17-12-7-3-5-9-14(12)19-15-10-6-4-8-13(15)17/h3-11,16H,1-2H3,(H,19,20)(H,21,22)
InChIKey
ALCXLRWSCMWMET-UHFFFAOYSA-N
Compound name
2-(acridin-9-ylamino)-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.13684 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 167.4
[M+Na]+ 317.12606 174.3
[M-H]- 293.12956 170.1
[M+NH4]+ 312.17066 182.2
[M+K]+ 333.10000 169.8
[M+H-H2O]+ 277.13410 159.4
[M+HCOO]- 339.13504 185.7
[M+CH3COO]- 353.15069 206.7
[M+Na-2H]- 315.11151 173.4
[M]+ 294.13629 168.4
[M]- 294.13739 168.4
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.