CID 6515828

Nsc622443

Structural Information

Molecular Formula
C25H33N4O3
SMILES
C[N+](C)(C)CC(=O)N/N=C(\CCC(=O)NCCC1=CC=CC=C1)/CC(=O)C2=CC=CC=C2
InChI
InChI=1S/C25H32N4O3/c1-29(2,3)19-25(32)28-27-22(18-23(30)21-12-8-5-9-13-21)14-15-24(31)26-17-16-20-10-6-4-7-11-20/h4-13H,14-19H2,1-3H3,(H-,26,28,31,32)/p+1/b27-22+
InChIKey
FKEOXAFKLVUESU-HPNDGRJYSA-O
Compound name
[2-[(2E)-2-[1,6-dioxo-1-phenyl-6-(2-phenylethylamino)hexan-3-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.25528 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.26256 208.0
[M+Na]+ 460.24450 206.8
[M-H]- 436.24800 215.3
[M+NH4]+ 455.28910 216.1
[M+K]+ 476.21844 198.8
[M+H-H2O]+ 420.25254 200.0
[M+HCOO]- 482.25348 230.7
[M+CH3COO]- 496.26913 236.5
[M+Na-2H]- 458.22995 211.8
[M]+ 437.25473 207.9
[M]- 437.25583 208.0
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.