CID 9574388

Nsc644733

Structural Information

Molecular Formula
C23H26N3O3
SMILES
C[N+](C)(C)CC(=O)N/N=C(/CC1C2=CC=CC=C2C(=O)O1)\C=C\C3=CC=CC=C3
InChI
InChI=1S/C23H25N3O3/c1-26(2,3)16-22(27)25-24-18(14-13-17-9-5-4-6-10-17)15-21-19-11-7-8-12-20(19)23(28)29-21/h4-14,21H,15-16H2,1-3H3/p+1/b14-13+,24-18+
InChIKey
UOZWALISYBCCPJ-VOPQESJESA-O
Compound name
trimethyl-[2-oxo-2-[(2Z)-2-[(E)-1-(3-oxo-1H-2-benzofuran-1-yl)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.19742 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20470 196.2
[M+Na]+ 415.18664 199.4
[M-H]- 391.19014 206.2
[M+NH4]+ 410.23124 208.7
[M+K]+ 431.16058 191.1
[M+H-H2O]+ 375.19468 190.1
[M+HCOO]- 437.19562 218.7
[M+CH3COO]- 451.21127 224.6
[M+Na-2H]- 413.17209 202.0
[M]+ 392.19687 197.0
[M]- 392.19797 197.0
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.