CID 494620

Nsc627901

Structural Information

Molecular Formula
C18H18N2O3
SMILES
CC(C)C(C(=O)O)N=C1C2=CC=CC=C2N(C3=CC=CC=C31)O
InChI
InChI=1S/C18H18N2O3/c1-11(2)16(18(21)22)19-17-12-7-3-5-9-14(12)20(23)15-10-6-4-8-13(15)17/h3-11,16,23H,1-2H3,(H,21,22)
InChIKey
USUBCYDCIHFXSL-UHFFFAOYSA-N
Compound name
2-[(10-hydroxyacridin-9-ylidene)amino]-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.13174 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.139016 170.1
[M+Na]+ 333.120958 178.1
[M-H]- 309.124464 173.3
[M+NH4]+ 328.165563 184.5
[M+K]+ 349.094898 173.8
[M+H-H2O]+ 293.129000 162.1
[M+HCOO]- 355.129941 188.7
[M+CH3COO]- 369.145591 208.8
[M+Na-2H]- 331.106406 175.4
[M]+ 310.13119142 172.2
[M]- 310.13228858 172.2
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.