CID 54712277

Nsc647274

Structural Information

Molecular Formula
C22H24N2O4
SMILES
C/C(=N\O)/C(CN(C)C)C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C22H24N2O4/c1-14(23-27)17(13-24(2)3)19(15-9-5-4-6-10-15)20-21(25)16-11-7-8-12-18(16)28-22(20)26/h4-12,17,19,25,27H,13H2,1-3H3/b23-14+
InChIKey
JSXDQSHKRYGMCJ-OEAKJJBVSA-N
Compound name
3-[(3E)-2-[(dimethylamino)methyl]-3-hydroxyimino-1-phenylbutyl]-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.1736 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.18088 192.5
[M+Na]+ 403.16282 196.8
[M-H]- 379.16632 200.3
[M+NH4]+ 398.20742 202.7
[M+K]+ 419.13676 195.4
[M+H-H2O]+ 363.17086 183.0
[M+HCOO]- 425.17180 211.9
[M+CH3COO]- 439.18745 227.4
[M+Na-2H]- 401.14827 194.2
[M]+ 380.17305 195.1
[M]- 380.17415 195.1
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.