CID 376199

Nsc656736

Structural Information

Molecular Formula
C22H20N4O5
SMILES
C1CC(=O)N(C1=O)CC2=CC=CC=C2N=[N+](C3=CC=CC=C3CN4C(=O)CCC4=O)[O-]
InChI
InChI=1S/C22H20N4O5/c27-19-9-10-20(28)24(19)13-15-5-1-3-7-17(15)23-26(31)18-8-4-2-6-16(18)14-25-21(29)11-12-22(25)30/h1-8H,9-14H2
InChIKey
PGDHHYNUJGQPPN-UHFFFAOYSA-N
Compound name
[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]imino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.14337 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.15065 199.4
[M+Na]+ 443.13259 203.2
[M-H]- 419.13609 211.1
[M+NH4]+ 438.17719 208.7
[M+K]+ 459.10653 194.4
[M+H-H2O]+ 403.14063 193.1
[M+HCOO]- 465.14157 221.1
[M+CH3COO]- 479.15722 222.7
[M+Na-2H]- 441.11804 198.3
[M]+ 420.14282 195.9
[M]- 420.14392 195.9
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.