CID 9555847

Nsc642065

Structural Information

Molecular Formula
C20H26N5O8
SMILES
C[N+](C)(C)CC(=O)N/N=C(/C(C(=O)C(=O)NC1=CC=CC=C1C(=O)N)C(=O)OC)\C(=O)OC
InChI
InChI=1S/C20H25N5O8/c1-25(2,3)10-13(26)23-24-15(20(31)33-5)14(19(30)32-4)16(27)18(29)22-12-9-7-6-8-11(12)17(21)28/h6-9,14H,10H2,1-5H3,(H3-,21,22,23,26,28,29,31)/p+1
InChIKey
GVVMBFATDTYERO-UHFFFAOYSA-O
Compound name
[2-[(2Z)-2-[5-(2-carbamoylanilino)-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

464.17813 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.18541 203.5
[M+Na]+ 487.16735 222.7
[M-H]- 463.17085 223.4
[M+NH4]+ 482.21195 219.4
[M+K]+ 503.14129 209.4
[M+H-H2O]+ 447.17539 202.3
[M+HCOO]- 509.17633 207.7
[M+CH3COO]- 523.19198 241.8
[M+Na-2H]- 485.15280 200.9
[M]+ 464.17758 195.1
[M]- 464.17868 195.1
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.