CID 53432532

631914-72-2

Structural Information

Molecular Formula
C10H13Cl2N3O2
SMILES
CC(C)(C)OC(=O)NCC1=CC(=NN=C1Cl)Cl
InChI
InChI=1S/C10H13Cl2N3O2/c1-10(2,3)17-9(16)13-5-6-4-7(11)14-15-8(6)12/h4H,5H2,1-3H3,(H,13,16)
InChIKey
PGUUNVCREMQDIX-UHFFFAOYSA-N
Compound name
tert-butyl N-[(3,6-dichloropyridazin-4-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

277.03848 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.04576 158.3
[M+Na]+ 300.02770 167.8
[M-H]- 276.03120 159.1
[M+NH4]+ 295.07230 173.4
[M+K]+ 316.00164 163.5
[M+H-H2O]+ 260.03574 152.3
[M+HCOO]- 322.03668 169.3
[M+CH3COO]- 336.05233 197.5
[M+Na-2H]- 298.01315 163.3
[M]+ 277.03793 163.2
[M]- 277.03903 163.2
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

patents stripe