CID 21863819

Tert-butyl 2-phenyl-1h-1,3-benzodiazole-1-carboxylate

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CC(C)(C)OC(=O)N1C2=CC=CC=C2N=C1C3=CC=CC=C3
InChI
InChI=1S/C18H18N2O2/c1-18(2,3)22-17(21)20-15-12-8-7-11-14(15)19-16(20)13-9-5-4-6-10-13/h4-12H,1-3H3
InChIKey
NZNVBGIQMWGYRR-UHFFFAOYSA-N
Compound name
tert-butyl 2-phenylbenzimidazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1306
Patents

294.13684 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 170.7
[M+Na]+ 317.12606 180.2
[M-H]- 293.12956 176.6
[M+NH4]+ 312.17066 186.5
[M+K]+ 333.10000 175.9
[M+H-H2O]+ 277.13410 162.3
[M+HCOO]- 339.13504 191.1
[M+CH3COO]- 353.15069 201.3
[M+Na-2H]- 315.11151 176.1
[M]+ 294.13629 174.7
[M]- 294.13739 174.7
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