CID 121763186

9002-29-3

Structural Information

Molecular Formula
C23H35N3O
SMILES
CC1CCN(CCN1CC2=CC=CC=C2)C(=O)C3CC4CCCC(C3)C4N
InChI
InChI=1S/C23H35N3O/c1-17-10-11-25(12-13-26(17)16-18-6-3-2-4-7-18)23(27)21-14-19-8-5-9-20(15-21)22(19)24/h2-4,6-7,17,19-22H,5,8-16,24H2,1H3
InChIKey
CFVKHVJQNDCBNV-UHFFFAOYSA-N
Compound name
(9-amino-3-bicyclo[3.3.1]nonanyl)-(4-benzyl-5-methyl-1,4-diazepan-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

2368
Patents

369.278 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.28528 193.9
[M+Na]+ 392.26722 193.8
[M-H]- 368.27072 198.3
[M+NH4]+ 387.31182 203.2
[M+K]+ 408.24116 192.1
[M+H-H2O]+ 352.27526 183.5
[M+HCOO]- 414.27620 201.7
[M+CH3COO]- 428.29185 199.1
[M+Na-2H]- 390.25267 191.0
[M]+ 369.27745 181.2
[M]- 369.27855 181.2
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

No patent data available for this compound.