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

36
Patents

288.12225 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12953 166.1
[M+Na]+ 311.11147 176.7
[M-H]- 287.11497 169.2
[M+NH4]+ 306.15607 179.9
[M+K]+ 327.08541 170.8
[M+H-H2O]+ 271.11951 157.7
[M+HCOO]- 333.12045 184.1
[M+CH3COO]- 347.13610 202.0
[M+Na-2H]- 309.09692 167.2
[M]+ 288.12170 164.6
[M]- 288.12280 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