CID 4607595

477733-88-3

Structural Information

Molecular Formula
C17H18N2O3
SMILES
C1CCC(CC1)C(=O)NN=CC2=COC3=CC=CC=C3C2=O
InChI
InChI=1S/C17H18N2O3/c20-16-13(11-22-15-9-5-4-8-14(15)16)10-18-19-17(21)12-6-2-1-3-7-12/h4-5,8-12H,1-3,6-7H2,(H,19,21)
InChIKey
GTOQRIOMLXUJJY-UHFFFAOYSA-N
Compound name
N-[(4-oxochromen-3-yl)methylideneamino]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.13174 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.13902 166.6
[M+Na]+ 321.12096 171.3
[M-H]- 297.12446 175.1
[M+NH4]+ 316.16556 180.8
[M+K]+ 337.09490 168.9
[M+H-H2O]+ 281.12900 157.6
[M+HCOO]- 343.12994 188.1
[M+CH3COO]- 357.14559 208.2
[M+Na-2H]- 319.10641 172.7
[M]+ 298.13119 164.3
[M]- 298.13229 164.3
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.