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

literature stripe

Patent stripe

patents stripe