CID 102062

1254-80-4

Structural Information

Molecular Formula
C26H40N4
SMILES
CN(C)C1=CC=C(C=C1)CNCC2CCC(CC2)CNCC3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C26H40N4/c1-29(2)25-13-9-23(10-14-25)19-27-17-21-5-7-22(8-6-21)18-28-20-24-11-15-26(16-12-24)30(3)4/h9-16,21-22,27-28H,5-8,17-20H2,1-4H3
InChIKey
PBKGXTOIDUAAQS-UHFFFAOYSA-N
Compound name
4-[[[4-[[[4-(dimethylamino)phenyl]methylamino]methyl]cyclohexyl]methylamino]methyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.3253 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.332576 204.6
[M+Na]+ 431.314518 203.6
[M-H]- 407.318024 214.4
[M+NH4]+ 426.359123 214.5
[M+K]+ 447.288458 200.0
[M+H-H2O]+ 391.322560 192.8
[M+HCOO]- 453.323501 226.7
[M+CH3COO]- 467.339151 244.7
[M+Na-2H]- 429.299966 204.0
[M]+ 408.32475142 201.7
[M]- 408.32584858 201.7
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.