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
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 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.