CID 16076465

N'-benzhydryl-n-[[(1s,2r,5s)-6,6-dimethylnorpinan-2-yl]methyl]ethane-1,2-diamine

Structural Information

Molecular Formula
C25H34N2
SMILES
CC1([C@H]2CC[C@H]([C@@H]1C2)CNCCNC(C3=CC=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C25H34N2/c1-25(2)22-14-13-21(23(25)17-22)18-26-15-16-27-24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21-24,26-27H,13-18H2,1-2H3/t21-,22-,23-/m0/s1
InChIKey
AEONQLVVUYYTMT-VABKMULXSA-N
Compound name
N'-benzhydryl-N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.2722 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.27948 198.9
[M+Na]+ 385.26142 198.8
[M-H]- 361.26492 201.8
[M+NH4]+ 380.30602 209.8
[M+K]+ 401.23536 196.5
[M+H-H2O]+ 345.26946 184.3
[M+HCOO]- 407.27040 210.6
[M+CH3COO]- 421.28605 204.8
[M+Na-2H]- 383.24687 204.4
[M]+ 362.27165 207.0
[M]- 362.27275 207.0
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.