CID 9555850

Nsc642067

Structural Information

Molecular Formula
C19H24FN4O7
SMILES
C[N+](C)(C)CC(=O)N/N=C(/C(C(=O)C(=O)NC1=CC=C(C=C1)F)C(=O)OC)\C(=O)OC
InChI
InChI=1S/C19H23FN4O7/c1-24(2,3)10-13(25)22-23-15(19(29)31-5)14(18(28)30-4)16(26)17(27)21-12-8-6-11(20)7-9-12/h6-9,14H,10H2,1-5H3,(H-,21,22,25,27,29)/p+1
InChIKey
SYXINDULSFIZAY-UHFFFAOYSA-O
Compound name
[2-[(2Z)-2-[5-(4-fluoroanilino)-1-methoxy-3-methoxycarbonyl-1,4,5-trioxopentan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.1629 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.17018 194.7
[M+Na]+ 462.15212 221.6
[M-H]- 438.15562 219.6
[M+NH4]+ 457.19672 219.0
[M+K]+ 478.12606 192.5
[M+H-H2O]+ 422.16016 188.1
[M+HCOO]- 484.16110 212.1
[M+CH3COO]- 498.17675 234.4
[M+Na-2H]- 460.13757 195.7
[M]+ 439.16235 197.1
[M]- 439.16345 197.1
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.