CID 135483963

Nsc647614

Structural Information

Molecular Formula
C21H24N3O4
SMILES
C[N+](C)(C)CC(=O)N/N=C(\CC1C2=CC=CC=C2C(=O)O1)/C3=CC=CC=C3O
InChI
InChI=1S/C21H23N3O4/c1-24(2,3)13-20(26)23-22-17(16-10-6-7-11-18(16)25)12-19-14-8-4-5-9-15(14)21(27)28-19/h4-11,19H,12-13H2,1-3H3,(H-,22,23,25,26)/p+1
InChIKey
WBSJTVLPYRKLAX-UHFFFAOYSA-O
Compound name
[2-[(2E)-2-[1-(2-hydroxyphenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)ethylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.17667 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.18395 189.9
[M+Na]+ 405.16589 193.9
[M-H]- 381.16939 199.3
[M+NH4]+ 400.21049 202.3
[M+K]+ 421.13983 186.6
[M+H-H2O]+ 365.17393 184.5
[M+HCOO]- 427.17487 211.6
[M+CH3COO]- 441.19052 221.2
[M+Na-2H]- 403.15134 196.2
[M]+ 382.17612 190.8
[M]- 382.17722 190.8
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

No patent data available for this compound.