CID 158438

Naminidil

Structural Information

Molecular Formula
C15H19N5
SMILES
C[C@H](C(C)(C)C)N=C(NC#N)NC1=CC=C(C=C1)C#N
InChI
InChI=1S/C15H19N5/c1-11(15(2,3)4)19-14(18-10-17)20-13-7-5-12(9-16)6-8-13/h5-8,11H,1-4H3,(H2,18,19,20)/t11-/m1/s1
InChIKey
PGYDRGZVXVVZQC-LLVKDONJSA-N
Compound name
1-cyano-3-(4-cyanophenyl)-2-[(2R)-3,3-dimethylbutan-2-yl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

269.16403 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17131 182.3
[M+Na]+ 292.15325 188.6
[M-H]- 268.15675 185.6
[M+NH4]+ 287.19785 192.4
[M+K]+ 308.12719 186.4
[M+H-H2O]+ 252.16129 165.9
[M+HCOO]- 314.16223 194.3
[M+CH3COO]- 328.17788 232.0
[M+Na-2H]- 290.13870 181.9
[M]+ 269.16348 172.8
[M]- 269.16458 172.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.