CID 3006127

N-(3,3-diphenylpropyl)-n'-exo-(2-norbornyl)ethane-1,2-diamine

Structural Information

Molecular Formula
C24H32N2
SMILES
C1C[C@H]2C[C@@H]1C[C@@H]2NCCNCCC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H32N2/c1-3-7-20(8-4-1)23(21-9-5-2-6-10-21)13-14-25-15-16-26-24-18-19-11-12-22(24)17-19/h1-10,19,22-26H,11-18H2/t19-,22+,24+/m1/s1
InChIKey
SOEYDSWDRIGNJR-UCFCWBNQSA-N
Compound name
N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(3,3-diphenylpropyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

348.25656 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.26384 184.9
[M+Na]+ 371.24578 185.6
[M-H]- 347.24928 192.2
[M+NH4]+ 366.29038 201.5
[M+K]+ 387.21972 179.5
[M+H-H2O]+ 331.25382 176.3
[M+HCOO]- 393.25476 205.2
[M+CH3COO]- 407.27041 193.3
[M+Na-2H]- 369.23123 184.8
[M]+ 348.25601 181.3
[M]- 348.25711 181.3
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

No patent data available for this compound.