CID 16076436

N2-(1-adamantylmethyl)-n1-(2,2-diphenylethyl)propane-1,2-diamine

Structural Information

Molecular Formula
C28H38N2
SMILES
CC(CNCC(C1=CC=CC=C1)C2=CC=CC=C2)NCC34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C28H38N2/c1-21(30-20-28-15-22-12-23(16-28)14-24(13-22)17-28)18-29-19-27(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-11,21-24,27,29-30H,12-20H2,1H3
InChIKey
PFNQEMSLGSCTEM-UHFFFAOYSA-N
Compound name
2-N-(1-adamantylmethyl)-1-N-(2,2-diphenylethyl)propane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.3035 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.31078 192.8
[M+Na]+ 425.29272 188.1
[M-H]- 401.29622 191.3
[M+NH4]+ 420.33732 208.3
[M+K]+ 441.26666 182.1
[M+H-H2O]+ 385.30076 181.2
[M+HCOO]- 447.30170 197.3
[M+CH3COO]- 461.31735 196.0
[M+Na-2H]- 423.27817 199.4
[M]+ 402.30295 189.2
[M]- 402.30405 189.2
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.