CID 165990977

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

Structural Information

Molecular Formula
C18H18N6O5
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C=C(C2=O)NC3=CC(=CC=C3)OCCCN=[N+]=[N-]
InChI
InChI=1S/C18H18N6O5/c19-23-20-7-2-8-29-12-4-1-3-11(9-12)21-13-10-16(26)24(18(13)28)14-5-6-15(25)22-17(14)27/h1,3-4,9-10,14,21H,2,5-8H2,(H,22,25,27)
InChIKey
HMVZHRLRMYWCRQ-UHFFFAOYSA-N
Compound name
3-[3-[3-(3-azidopropoxy)anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.13388 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.14116 188.9
[M+Na]+ 421.12310 192.6
[M-H]- 397.12660 197.1
[M+NH4]+ 416.16770 197.2
[M+K]+ 437.09704 183.3
[M+H-H2O]+ 381.13114 182.2
[M+HCOO]- 443.13208 213.1
[M+CH3COO]- 457.14773 223.6
[M+Na-2H]- 419.10855 193.0
[M]+ 398.13333 184.2
[M]- 398.13443 184.2
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.