CID 6478440

N-(-)-cis-myrtanyl-n'-(3,3-diphenylpropyl)ethane-1,2-diamine

Structural Information

Molecular Formula
C27H38N2
SMILES
CC1([C@H]2CC[C@H]([C@@H]1C2)CNCCNCCC(C3=CC=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C27H38N2/c1-27(2)24-14-13-23(26(27)19-24)20-29-18-17-28-16-15-25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,23-26,28-29H,13-20H2,1-2H3/t23-,24-,26-/m0/s1
InChIKey
YDCXBJQMSRNYCP-GNKBHMEESA-N
Compound name
N'-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-N-(3,3-diphenylpropyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

390.3035 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.31078 207.9
[M+Na]+ 413.29272 206.8
[M-H]- 389.29622 210.3
[M+NH4]+ 408.33732 217.6
[M+K]+ 429.26666 204.2
[M+H-H2O]+ 373.30076 192.9
[M+HCOO]- 435.30170 218.9
[M+CH3COO]- 449.31735 212.8
[M+Na-2H]- 411.27817 212.2
[M]+ 390.30295 216.5
[M]- 390.30405 216.5
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.