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

1143
Patents

294.13684 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.144116 170.7
[M+Na]+ 317.126058 180.2
[M-H]- 293.129564 176.6
[M+NH4]+ 312.170663 186.5
[M+K]+ 333.099998 175.9
[M+H-H2O]+ 277.134100 162.3
[M+HCOO]- 339.135041 191.1
[M+CH3COO]- 353.150691 201.3
[M+Na-2H]- 315.111506 176.1
[M]+ 294.13629142 174.7
[M]- 294.13738858 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