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

98
Patents

269.16403 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.171306 182.3
[M+Na]+ 292.153248 188.6
[M-H]- 268.156754 185.6
[M+NH4]+ 287.197853 192.4
[M+K]+ 308.127188 186.4
[M+H-H2O]+ 252.161290 165.9
[M+HCOO]- 314.162231 194.3
[M+CH3COO]- 328.177881 232.0
[M+Na-2H]- 290.138696 181.9
[M]+ 269.16348142 172.8
[M]- 269.16457858 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

patents stripe