CID 16076422

N'-(1-adamantylmethyl)-n-(3-phenylpropyl)ethane-1,2-diamine

Structural Information

Molecular Formula
C22H34N2
SMILES
C1C2CC3CC1CC(C2)(C3)CNCCNCCCC4=CC=CC=C4
InChI
InChI=1S/C22H34N2/c1-2-5-18(6-3-1)7-4-8-23-9-10-24-17-22-14-19-11-20(15-22)13-21(12-19)16-22/h1-3,5-6,19-21,23-24H,4,7-17H2
InChIKey
RBRDTCFBRAGVGN-UHFFFAOYSA-N
Compound name
N'-(1-adamantylmethyl)-N-(3-phenylpropyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.2722 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.27948 175.2
[M+Na]+ 349.26142 172.9
[M-H]- 325.26492 171.7
[M+NH4]+ 344.30602 194.9
[M+K]+ 365.23536 167.3
[M+H-H2O]+ 309.26946 165.7
[M+HCOO]- 371.27040 182.7
[M+CH3COO]- 385.28605 180.6
[M+Na-2H]- 347.24687 184.9
[M]+ 326.27165 173.8
[M]- 326.27275 173.8
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.