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 179.0
[M-H]- 272.18806 178.5
[M+NH4]+ 291.22916 188.3
[M+K]+ 312.15850 178.1
[M+H-H2O]+ 256.19260 159.2
[M+HCOO]- 318.19354 195.5
[M+CH3COO]- 332.20919 224.8
[M+Na-2H]- 294.17001 177.1
[M]+ 273.19479 168.7
[M]- 273.19589 168.7
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.