CID 478567

(4-chlorophenyl)methyl n-(pyrazine-2-carbonylamino)carbamate

Structural Information

Molecular Formula
C13H11ClN4O3
SMILES
C1=CC(=CC=C1COC(=O)NNC(=O)C2=NC=CN=C2)Cl
InChI
InChI=1S/C13H11ClN4O3/c14-10-3-1-9(2-4-10)8-21-13(20)18-17-12(19)11-7-15-5-6-16-11/h1-7H,8H2,(H,17,19)(H,18,20)
InChIKey
RTUOUYQNOATKMM-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)methyl N-(pyrazine-2-carbonylamino)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.05197 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.05925 165.2
[M+Na]+ 329.04119 172.1
[M-H]- 305.04469 169.3
[M+NH4]+ 324.08579 177.2
[M+K]+ 345.01513 168.0
[M+H-H2O]+ 289.04923 156.1
[M+HCOO]- 351.05017 183.9
[M+CH3COO]- 365.06582 202.9
[M+Na-2H]- 327.02664 171.6
[M]+ 306.05142 167.4
[M]- 306.05252 167.4
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.