CID 165990973

3-{3-[(3-azidopropyl)amino]-2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl}piperidine-2,6-dione

Structural Information

Molecular Formula
C12H14N6O4
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C=C(C2=O)NCCCN=[N+]=[N-]
InChI
InChI=1S/C12H14N6O4/c13-17-15-5-1-4-14-7-6-10(20)18(12(7)22)8-2-3-9(19)16-11(8)21/h6,8,14H,1-5H2,(H,16,19,21)
InChIKey
RROHMKGQGVSXHD-UHFFFAOYSA-N
Compound name
3-[3-(3-azidopropylamino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.10767 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.11495 165.3
[M+Na]+ 329.09689 170.4
[M-H]- 305.10039 170.6
[M+NH4]+ 324.14149 178.0
[M+K]+ 345.07083 162.2
[M+H-H2O]+ 289.10493 160.6
[M+HCOO]- 351.10587 190.3
[M+CH3COO]- 365.12152 205.9
[M+Na-2H]- 327.08234 170.4
[M]+ 306.10712 159.4
[M]- 306.10822 159.4
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.