CID 65954648

4-(aminomethyl)-n-(2,6-dioxopiperidin-3-yl)benzamide hydrochloride

Structural Information

Molecular Formula
C13H15N3O3
SMILES
C1CC(=O)NC(=O)C1NC(=O)C2=CC=C(C=C2)CN
InChI
InChI=1S/C13H15N3O3/c14-7-8-1-3-9(4-2-8)12(18)15-10-5-6-11(17)16-13(10)19/h1-4,10H,5-7,14H2,(H,15,18)(H,16,17,19)
InChIKey
ABPMDHDNTCMNMZ-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-N-(2,6-dioxopiperidin-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.11133 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.118606 158.6
[M+Na]+ 284.100548 163.6
[M-H]- 260.104054 161.7
[M+NH4]+ 279.145153 172.0
[M+K]+ 300.074488 159.6
[M+H-H2O]+ 244.108590 150.4
[M+HCOO]- 306.109531 177.7
[M+CH3COO]- 320.125181 197.6
[M+Na-2H]- 282.085996 160.3
[M]+ 261.11078142 151.9
[M]- 261.11187858 151.9
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.