CID 3050790

Brn 2867020

Structural Information

Molecular Formula
C15H23N5
SMILES
CCC(C)(C)N=C(NC#N)NC1=CC=C(C=C1)N(C)C
InChI
InChI=1S/C15H23N5/c1-6-15(2,3)19-14(17-11-16)18-12-7-9-13(10-8-12)20(4)5/h7-10H,6H2,1-5H3,(H2,17,18,19)
InChIKey
LZMRPISGVKEYSS-UHFFFAOYSA-N
Compound name
1-cyano-3-[4-(dimethylamino)phenyl]-2-(2-methylbutan-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.19534 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.20262 173.9
[M+Na]+ 296.18456 181.3
[M+NH4]+ 291.22916 177.0
[M+K]+ 312.15850 172.7
[M-H]- 272.18806 169.8
[M+Na-2H]- 294.17001 176.2
[M]+ 273.19479 172.7
[M]- 273.19589 172.7
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.