CID 605450

1,3-dimethyl-2-oxo-2,3-dihydro-1h-1,3-benzodiazole-5-carbaldehyde

Structural Information

Molecular Formula
C10H10N2O2
SMILES
CN1C2=C(C=C(C=C2)C=O)N(C1=O)C
InChI
InChI=1S/C10H10N2O2/c1-11-8-4-3-7(6-13)5-9(8)12(2)10(11)14/h3-6H,1-2H3
InChIKey
PFRNWHRHGONGPG-UHFFFAOYSA-N
Compound name
1,3-dimethyl-2-oxobenzimidazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

190.07423 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 136.1
[M+Na]+ 213.06345 149.7
[M-H]- 189.06695 139.7
[M+NH4]+ 208.10805 157.0
[M+K]+ 229.03739 146.3
[M+H-H2O]+ 173.07149 129.8
[M+HCOO]- 235.07243 160.6
[M+CH3COO]- 249.08808 183.9
[M+Na-2H]- 211.04890 142.5
[M]+ 190.07368 141.4
[M]- 190.07478 141.4
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