CID 16076676

N1-(2,2-diphenylethyl)-n2-[(1r,2s,4r)-1,7,7-trimethylnorbornan-2-yl]propane-1,2-diamine

Structural Information

Molecular Formula
C27H38N2
SMILES
CC(CNCC(C1=CC=CC=C1)C2=CC=CC=C2)N[C@H]3C[C@H]4CC[C@@]3(C4(C)C)C
InChI
InChI=1S/C27H38N2/c1-20(29-25-17-23-15-16-27(25,4)26(23,2)3)18-28-19-24(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,20,23-25,28-29H,15-19H2,1-4H3/t20?,23-,25+,27+/m1/s1
InChIKey
PSHLVVOQDBUFFO-LLSHSZAFSA-N
Compound name
1-N-(2,2-diphenylethyl)-2-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.3035 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.31078 200.4
[M+Na]+ 413.29272 202.8
[M-H]- 389.29622 208.3
[M+NH4]+ 408.33732 219.7
[M+K]+ 429.26666 196.6
[M+H-H2O]+ 373.30076 192.4
[M+HCOO]- 435.30170 218.6
[M+CH3COO]- 449.31735 208.6
[M+Na-2H]- 411.27817 198.9
[M]+ 390.30295 198.3
[M]- 390.30405 198.3
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.