CID 504260

Schembl1779731

Structural Information

Molecular Formula
C28H38N2
SMILES
C1C2CC3CC1CC(C2)(C3)CNCCNCCC(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H38N2/c1-3-7-25(8-4-1)27(26-9-5-2-6-10-26)11-12-29-13-14-30-21-28-18-22-15-23(19-28)17-24(16-22)20-28/h1-10,22-24,27,29-30H,11-21H2
InChIKey
GCTGZYDEFJZCBM-UHFFFAOYSA-N
Compound name
N'-(1-adamantylmethyl)-N-(3,3-diphenylpropyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

402.3035 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.31078 191.1
[M+Na]+ 425.29272 186.9
[M-H]- 401.29622 189.8
[M+NH4]+ 420.33732 206.8
[M+K]+ 441.26666 180.3
[M+H-H2O]+ 385.30076 179.2
[M+HCOO]- 447.30170 196.8
[M+CH3COO]- 461.31735 194.7
[M+Na-2H]- 423.27817 198.9
[M]+ 402.30295 188.2
[M]- 402.30405 188.2
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.