CID 75481097

Tert-butyl n-{3-[(6-chloropyrazin-2-yl)amino]propyl}carbamate

Structural Information

Molecular Formula
C12H19ClN4O2
SMILES
CC(C)(C)OC(=O)NCCCNC1=CN=CC(=N1)Cl
InChI
InChI=1S/C12H19ClN4O2/c1-12(2,3)19-11(18)16-6-4-5-15-10-8-14-7-9(13)17-10/h7-8H,4-6H2,1-3H3,(H,15,17)(H,16,18)
InChIKey
RIXUAQVKFBPJQC-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-[(6-chloropyrazin-2-yl)amino]propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.11966 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12694 166.8
[M+Na]+ 309.10888 173.3
[M-H]- 285.11238 167.5
[M+NH4]+ 304.15348 180.4
[M+K]+ 325.08282 169.8
[M+H-H2O]+ 269.11692 159.2
[M+HCOO]- 331.11786 183.3
[M+CH3COO]- 345.13351 202.9
[M+Na-2H]- 307.09433 172.6
[M]+ 286.11911 170.4
[M]- 286.12021 170.4
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.