CID 139026754

Tert-butyl n-(5-chloro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate

Structural Information

Molecular Formula
C18H27BClNO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2Cl)NC(=O)OC(C)(C)C)OC
InChI
InChI=1S/C18H27BClNO5/c1-16(2,3)24-15(22)21-13-10-12(20)11(9-14(13)23-8)19-25-17(4,5)18(6,7)26-19/h9-10H,1-8H3,(H,21,22)
InChIKey
ZVXWAOMHGPQFJM-UHFFFAOYSA-N
Compound name
tert-butyl N-[5-chloro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.16708 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.17436 183.6
[M+Na]+ 406.15630 192.7
[M-H]- 382.15980 192.5
[M+NH4]+ 401.20090 200.3
[M+K]+ 422.13024 192.5
[M+H-H2O]+ 366.16434 180.5
[M+HCOO]- 428.16528 197.7
[M+CH3COO]- 442.18093 220.1
[M+Na-2H]- 404.14175 187.1
[M]+ 383.16653 193.1
[M]- 383.16763 193.1
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

No patent data available for this compound.