CID 230469

1-benzoylsemicarbazide

Structural Information

Molecular Formula
C8H9N3O2
SMILES
C1=CC=C(C=C1)C(=O)NNC(=O)N
InChI
InChI=1S/C8H9N3O2/c9-8(13)11-10-7(12)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H3,9,11,13)
InChIKey
HUZZTWCBDUFIOU-UHFFFAOYSA-N
Compound name
benzamidourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

179.06947 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.07675 136.6
[M+Na]+ 202.05869 142.0
[M-H]- 178.06219 139.8
[M+NH4]+ 197.10329 155.0
[M+K]+ 218.03263 140.7
[M+H-H2O]+ 162.06673 129.7
[M+HCOO]- 224.06767 162.8
[M+CH3COO]- 238.08332 184.7
[M+Na-2H]- 200.04414 142.6
[M]+ 179.06892 132.7
[M]- 179.07002 132.7
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