CID 3050785

Brn 2870974

Structural Information

Molecular Formula
C12H14Cl2N4
SMILES
CC(C)(C)N=C(NC#N)NC1=C(C=CC=C1Cl)Cl
InChI
InChI=1S/C12H14Cl2N4/c1-12(2,3)18-11(16-7-15)17-10-8(13)5-4-6-9(10)14/h4-6H,1-3H3,(H2,16,17,18)
InChIKey
FRSUSTKLHWBNNY-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-cyano-3-(2,6-dichlorophenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

284.05954 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.06682 173.8
[M+Na]+ 307.04876 183.3
[M-H]- 283.05226 177.5
[M+NH4]+ 302.09336 189.3
[M+K]+ 323.02270 177.9
[M+H-H2O]+ 267.05680 162.3
[M+HCOO]- 329.05774 186.6
[M+CH3COO]- 343.07339 216.5
[M+Na-2H]- 305.03421 176.7
[M]+ 284.05899 170.6
[M]- 284.06009 170.6
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

patents stripe