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

literature stripe

Patent stripe

patents stripe