CID 165340741

Carbamic acid, n-[(8-chloro-1,2,4-triazolo[4,3-a]pyrazin-3-yl)methyl]-, 1,1-dimethylethyl ester

Structural Information

Molecular Formula
C11H14ClN5O2
SMILES
CC(C)(C)OC(=O)NCC1=NN=C2N1C=CN=C2Cl
InChI
InChI=1S/C11H14ClN5O2/c1-11(2,3)19-10(18)14-6-7-15-16-9-8(12)13-4-5-17(7)9/h4-5H,6H2,1-3H3,(H,14,18)
InChIKey
FITLNNNMHJYXGE-UHFFFAOYSA-N
Compound name
tert-butyl N-[(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.0836 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09088 163.9
[M+Na]+ 306.07282 174.8
[M-H]- 282.07632 164.1
[M+NH4]+ 301.11742 178.3
[M+K]+ 322.04676 170.8
[M+H-H2O]+ 266.08086 155.6
[M+HCOO]- 328.08180 178.8
[M+CH3COO]- 342.09745 198.9
[M+Na-2H]- 304.05827 170.7
[M]+ 283.08305 170.0
[M]- 283.08415 170.0
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.