CID 389254

Nsc685007

Structural Information

Molecular Formula
C18H16N2O3
SMILES
COC1=CC2=C(C=C1)OC(=N)C(=C2)C(=O)NCC3=CC=CC=C3
InChI
InChI=1S/C18H16N2O3/c1-22-14-7-8-16-13(9-14)10-15(17(19)23-16)18(21)20-11-12-5-3-2-4-6-12/h2-10,19H,11H2,1H3,(H,20,21)
InChIKey
OUEWFLQNABACDL-UHFFFAOYSA-N
Compound name
N-benzyl-2-imino-6-methoxychromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

308.1161 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12338 170.4
[M+Na]+ 331.10532 177.9
[M-H]- 307.10882 178.9
[M+NH4]+ 326.14992 184.1
[M+K]+ 347.07926 174.6
[M+H-H2O]+ 291.11336 161.5
[M+HCOO]- 353.11430 194.2
[M+CH3COO]- 367.12995 210.4
[M+Na-2H]- 329.09077 177.7
[M]+ 308.11555 172.1
[M]- 308.11665 172.1
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.