CID 10001992

Schembl9973117

Structural Information

Molecular Formula
C29H40N2
SMILES
CC(CNCCC(C1=CC=CC=C1)C2=CC=CC=C2)NCC34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C29H40N2/c1-22(31-21-29-17-23-14-24(18-29)16-25(15-23)19-29)20-30-13-12-28(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-11,22-25,28,30-31H,12-21H2,1H3
InChIKey
KFONCNVPFBFWTQ-UHFFFAOYSA-N
Compound name
2-N-(1-adamantylmethyl)-1-N-(3,3-diphenylpropyl)propane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

416.31915 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.32643 197.0
[M+Na]+ 439.30837 191.9
[M-H]- 415.31187 195.3
[M+NH4]+ 434.35297 212.0
[M+K]+ 455.28231 185.7
[M+H-H2O]+ 399.31641 185.3
[M+HCOO]- 461.31735 201.2
[M+CH3COO]- 475.33300 199.8
[M+Na-2H]- 437.29382 203.1
[M]+ 416.31860 193.7
[M]- 416.31970 193.7
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

patents stripe