CID 3050771

67026-69-1

Structural Information

Molecular Formula
C11H17ClN6
SMILES
CC1=NN(C(=C1Cl)NC(=NC(C)(C)C)NC#N)C
InChI
InChI=1S/C11H17ClN6/c1-7-8(12)9(18(5)17-7)15-10(14-6-13)16-11(2,3)4/h1-5H3,(H2,14,15,16)
InChIKey
DMSRVZDMPMDUBI-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-(4-chloro-2,5-dimethylpyrazol-3-yl)-3-cyanoguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.12033 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12761 168.0
[M+Na]+ 291.10955 176.9
[M-H]- 267.11305 169.7
[M+NH4]+ 286.15415 182.7
[M+K]+ 307.08349 174.3
[M+H-H2O]+ 251.11759 153.5
[M+HCOO]- 313.11853 183.5
[M+CH3COO]- 327.13418 215.9
[M+Na-2H]- 289.09500 170.1
[M]+ 268.11978 164.6
[M]- 268.12088 164.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.