CID 18958

4-phthalimidobutyramide

Structural Information

Molecular Formula
C12H12N2O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)N
InChI
InChI=1S/C12H12N2O3/c13-10(15)6-3-7-14-11(16)8-4-1-2-5-9(8)12(14)17/h1-2,4-5H,3,6-7H2,(H2,13,15)
InChIKey
DEHGEJYFWZKPKM-UHFFFAOYSA-N
Compound name
4-(1,3-dioxoisoindol-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

232.0848 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.092076 149.6
[M+Na]+ 255.074018 158.3
[M-H]- 231.077524 152.7
[M+NH4]+ 250.118623 168.7
[M+K]+ 271.047958 155.0
[M+H-H2O]+ 215.082060 143.2
[M+HCOO]- 277.083001 171.7
[M+CH3COO]- 291.098651 193.0
[M+Na-2H]- 253.059466 152.2
[M]+ 232.08425142 150.2
[M]- 232.08534858 150.2
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