CID 3035550

64309-05-3

Structural Information

Molecular Formula
C16H18N6O6
SMILES
C1CC(=O)N(C1=O)OC(=O)CCCCCNC2=C(C=C(C=C2)N=[N+]=[N-])[N+](=O)[O-]
InChI
InChI=1S/C16H18N6O6/c17-20-19-11-5-6-12(13(10-11)22(26)27)18-9-3-1-2-4-16(25)28-21-14(23)7-8-15(21)24/h5-6,10,18H,1-4,7-9H2
InChIKey
NGXDNMNOQDVTRL-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 6-(4-azido-2-nitroanilino)hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2365
Patents

390.12878 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.13606 190.0
[M+Na]+ 413.11800 195.8
[M+NH4]+ 408.16260 198.6
[M+K]+ 429.09194 204.9
[M-H]- 389.12150 186.6
[M+Na-2H]- 411.10345 187.0
[M]+ 390.12823 192.0
[M]- 390.12933 192.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe