CID 3050782

Chembl93835

Structural Information

Molecular Formula
C14H20N4
SMILES
CC(C(C)(C)C)N=C(NC#N)NC1=CC=CC=C1
InChI
InChI=1S/C14H20N4/c1-11(14(2,3)4)17-13(16-10-15)18-12-8-6-5-7-9-12/h5-9,11H,1-4H3,(H2,16,17,18)
InChIKey
BNIZYODSEJZOIY-UHFFFAOYSA-N
Compound name
1-cyano-2-(3,3-dimethylbutan-2-yl)-3-phenylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

244.1688 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.17608 167.3
[M+Na]+ 267.15802 172.8
[M-H]- 243.16152 170.8
[M+NH4]+ 262.20262 182.4
[M+K]+ 283.13196 170.8
[M+H-H2O]+ 227.16606 153.4
[M+HCOO]- 289.16700 187.2
[M+CH3COO]- 303.18265 213.5
[M+Na-2H]- 265.14347 170.9
[M]+ 244.16825 160.4
[M]- 244.16935 160.4
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.