CID 54712301

Nsc647580

Structural Information

Molecular Formula
C24H29N3O3
SMILES
C/C(=N\N(C)C)/C(CN(C)C)C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C24H29N3O3/c1-16(25-27(4)5)19(15-26(2)3)21(17-11-7-6-8-12-17)22-23(28)18-13-9-10-14-20(18)30-24(22)29/h6-14,19,21,28H,15H2,1-5H3/b25-16+
InChIKey
UCGJQBNQOAVGBX-PCLIKHOPSA-N
Compound name
3-[(3E)-2-[(dimethylamino)methyl]-3-(dimethylhydrazinylidene)-1-phenylbutyl]-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.2209 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.22818 203.4
[M+Na]+ 430.21012 206.7
[M-H]- 406.21362 213.5
[M+NH4]+ 425.25472 213.5
[M+K]+ 446.18406 206.5
[M+H-H2O]+ 390.21816 193.0
[M+HCOO]- 452.21910 224.9
[M+CH3COO]- 466.23475 241.7
[M+Na-2H]- 428.19557 204.1
[M]+ 407.22035 207.6
[M]- 407.22145 207.6
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.