CID 2813597

Ns00018603

Structural Information

Molecular Formula
C18H17N3O4
SMILES
CC1=CC2=C(C=C1)OC(=O)N2CCC(=NOC(=O)C3=CC=CC=C3)N
InChI
InChI=1S/C18H17N3O4/c1-12-7-8-15-14(11-12)21(18(23)24-15)10-9-16(19)20-25-17(22)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H2,19,20)
InChIKey
NKTXTHFGYOGAPT-UHFFFAOYSA-N
Compound name
[[1-amino-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propylidene]amino] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

339.12192 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.129196 178.4
[M+Na]+ 362.111138 186.8
[M-H]- 338.114644 187.1
[M+NH4]+ 357.155743 191.7
[M+K]+ 378.085078 184.4
[M+H-H2O]+ 322.119180 169.3
[M+HCOO]- 384.120121 203.3
[M+CH3COO]- 398.135771 216.1
[M+Na-2H]- 360.096586 182.4
[M]+ 339.12137142 183.7
[M]- 339.12246858 183.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.