CID 138491645

At44052

Structural Information

Molecular Formula
C14H16N4O3
SMILES
CN1C2=C(C=CC(=C2)CN)N(C1=O)C3CCC(=O)NC3=O
InChI
InChI=1S/C14H16N4O3/c1-17-11-6-8(7-15)2-3-9(11)18(14(17)21)10-4-5-12(19)16-13(10)20/h2-3,6,10H,4-5,7,15H2,1H3,(H,16,19,20)
InChIKey
YTHIPHLEJOHUFB-UHFFFAOYSA-N
Compound name
3-[5-(aminomethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

288.12225 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.129526 166.1
[M+Na]+ 311.111468 176.7
[M-H]- 287.114974 169.2
[M+NH4]+ 306.156073 179.9
[M+K]+ 327.085408 170.8
[M+H-H2O]+ 271.119510 157.7
[M+HCOO]- 333.120451 184.1
[M+CH3COO]- 347.136101 202.0
[M+Na-2H]- 309.096916 167.2
[M]+ 288.12170142 164.6
[M]- 288.12279858 164.6
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