CID 10380827

Schembl1779571

Structural Information

Molecular Formula
C21H32N2
SMILES
C1C2CC3CC1CC(C2)(C3)NCCNCCCC4=CC=CC=C4
InChI
InChI=1S/C21H32N2/c1-2-5-17(6-3-1)7-4-8-22-9-10-23-21-14-18-11-19(15-21)13-20(12-18)16-21/h1-3,5-6,18-20,22-23H,4,7-16H2
InChIKey
AXRNNSRITFPWSI-UHFFFAOYSA-N
Compound name
N'-(1-adamantyl)-N-(3-phenylpropyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

312.25656 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.26384 170.8
[M+Na]+ 335.24578 169.1
[M-H]- 311.24928 167.6
[M+NH4]+ 330.29038 191.2
[M+K]+ 351.21972 163.6
[M+H-H2O]+ 295.25382 161.5
[M+HCOO]- 357.25476 178.7
[M+CH3COO]- 371.27041 176.7
[M+Na-2H]- 333.23123 181.1
[M]+ 312.25601 169.2
[M]- 312.25711 169.2
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