CID 3078295

Guanidine, n,n'''-1,2-ethanediylbis(n''-(4-cyclohexylphenyl)-n',n'-dimethyl-, dihydrochloride

Structural Information

Molecular Formula
C32H48N6
SMILES
CN(C)C(=NCCN=C(NC1=CC=C(C=C1)C2CCCCC2)N(C)C)NC3=CC=C(C=C3)C4CCCCC4
InChI
InChI=1S/C32H48N6/c1-37(2)31(35-29-19-15-27(16-20-29)25-11-7-5-8-12-25)33-23-24-34-32(38(3)4)36-30-21-17-28(18-22-30)26-13-9-6-10-14-26/h15-22,25-26H,5-14,23-24H2,1-4H3,(H,33,35)(H,34,36)
InChIKey
NGUZMIWUYCRVGG-UHFFFAOYSA-N
Compound name
2-[2-[[(4-cyclohexylanilino)-(dimethylamino)methylidene]amino]ethyl]-3-(4-cyclohexylphenyl)-1,1-dimethylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.39404 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.40132 227.8
[M+Na]+ 539.38326 221.1
[M-H]- 515.38676 240.7
[M+NH4]+ 534.42786 232.7
[M+K]+ 555.35720 218.6
[M+H-H2O]+ 499.39130 213.7
[M+HCOO]- 561.39224 248.1
[M+CH3COO]- 575.40789 268.8
[M+Na-2H]- 537.36871 224.9
[M]+ 516.39349 219.1
[M]- 516.39459 219.1
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.