CID 49771992

Schembl12155407

Structural Information

Molecular Formula
C23H26N2O3
SMILES
CCCCCCN=CC1=C(C2=CC=CC=C2OC1=O)NC3=CC=C(C=C3)OC
InChI
InChI=1S/C23H26N2O3/c1-3-4-5-8-15-24-16-20-22(25-17-11-13-18(27-2)14-12-17)19-9-6-7-10-21(19)28-23(20)26/h6-7,9-14,16,25H,3-5,8,15H2,1-2H3
InChIKey
VIORLHJUJSMAJB-UHFFFAOYSA-N
Compound name
3-(hexyliminomethyl)-4-(4-methoxyanilino)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

378.19434 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.20162 193.7
[M+Na]+ 401.18356 200.5
[M-H]- 377.18706 202.8
[M+NH4]+ 396.22816 205.5
[M+K]+ 417.15750 196.4
[M+H-H2O]+ 361.19160 183.3
[M+HCOO]- 423.19254 218.1
[M+CH3COO]- 437.20819 227.9
[M+Na-2H]- 399.16901 199.0
[M]+ 378.19379 199.8
[M]- 378.19489 199.8
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

patents stripe