CID 504265

Schembl1784456

Structural Information

Molecular Formula
C27H36N2
SMILES
C1C2CC3CC1CC(C2)(C3)CNCCNCC(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H36N2/c1-3-7-24(8-4-1)26(25-9-5-2-6-10-25)19-28-11-12-29-20-27-16-21-13-22(17-27)15-23(14-21)18-27/h1-10,21-23,26,28-29H,11-20H2
InChIKey
HZWDNJXTFCYMQB-UHFFFAOYSA-N
Compound name
N'-(1-adamantylmethyl)-N-(2,2-diphenylethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

388.28784 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.29512 186.9
[M+Na]+ 411.27706 183.1
[M-H]- 387.28056 185.8
[M+NH4]+ 406.32166 203.2
[M+K]+ 427.25100 176.8
[M+H-H2O]+ 371.28510 175.2
[M+HCOO]- 433.28604 192.9
[M+CH3COO]- 447.30169 190.9
[M+Na-2H]- 409.26251 195.2
[M]+ 388.28729 183.7
[M]- 388.28839 183.7
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.