CID 132117560

2154357-02-3

Structural Information

Molecular Formula
C16H16N4O4
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NC4CNC4
InChI
InChI=1S/C16H16N4O4/c21-12-5-4-11(14(22)19-12)20-15(23)9-2-1-3-10(13(9)16(20)24)18-8-6-17-7-8/h1-3,8,11,17-18H,4-7H2,(H,19,21,22)
InChIKey
RYVQPFVJRWURRP-UHFFFAOYSA-N
Compound name
4-(azetidin-3-ylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

328.11716 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.124436 174.5
[M+Na]+ 351.106378 179.1
[M-H]- 327.109884 177.9
[M+NH4]+ 346.150983 178.6
[M+K]+ 367.080318 176.7
[M+H-H2O]+ 311.114420 159.9
[M+HCOO]- 373.115361 186.3
[M+CH3COO]- 387.131011 209.8
[M+Na-2H]- 349.091826 172.7
[M]+ 328.11661142 176.3
[M]- 328.11770858 176.3
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

patents stripe