CID 54712271

Nsc647267

Structural Information

Molecular Formula
C22H25N3O3
SMILES
C/C(=N\N)/C(CN(C)C)C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C22H25N3O3/c1-14(24-23)17(13-25(2)3)19(15-9-5-4-6-10-15)20-21(26)16-11-7-8-12-18(16)28-22(20)27/h4-12,17,19,26H,13,23H2,1-3H3/b24-14+
InChIKey
XKEMNIJCNUTONK-ZVHZXABRSA-N
Compound name
3-[(3E)-2-[(dimethylamino)methyl]-3-hydrazinylidene-1-phenylbutyl]-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1896 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.19688 194.6
[M+Na]+ 402.17882 198.7
[M-H]- 378.18232 203.2
[M+NH4]+ 397.22342 205.0
[M+K]+ 418.15276 197.2
[M+H-H2O]+ 362.18686 184.7
[M+HCOO]- 424.18780 215.7
[M+CH3COO]- 438.20345 232.2
[M+Na-2H]- 400.16427 196.0
[M]+ 379.18905 196.0
[M]- 379.19015 196.0
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.