CID 169497152

N-(3-bromo-5-chloropyridin-4-yl)-3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzamide

Structural Information

Molecular Formula
C17H14BrClF2N2O3
SMILES
C1CC1COC2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3Cl)Br)OC(F)F
InChI
InChI=1S/C17H14BrClF2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)
InChIKey
VLZNOYOJRVCGTQ-UHFFFAOYSA-N
Compound name
N-(3-bromo-5-chloropyridin-4-yl)-3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.98444 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.99172 184.3
[M+Na]+ 468.97366 196.5
[M-H]- 444.97716 192.7
[M+NH4]+ 464.01826 192.4
[M+K]+ 484.94760 182.2
[M+H-H2O]+ 428.98170 180.3
[M+HCOO]- 490.98264 198.1
[M+CH3COO]- 504.99829 225.8
[M+Na-2H]- 466.95911 186.1
[M]+ 445.98389 206.5
[M]- 445.98499 206.5
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.