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]+ 311.13902 170.1
[M+Na]+ 333.12096 178.1
[M-H]- 309.12446 173.3
[M+NH4]+ 328.16556 184.5
[M+K]+ 349.09490 173.8
[M+H-H2O]+ 293.12900 162.1
[M+HCOO]- 355.12994 188.7
[M+CH3COO]- 369.14559 208.8
[M+Na-2H]- 331.10641 175.4
[M]+ 310.13119 172.2
[M]- 310.13229 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.