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
1
Annotation Hits

13
References

3469
Patents

369.278 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.285276 193.9
[M+Na]+ 392.267218 193.8
[M-H]- 368.270724 198.3
[M+NH4]+ 387.311823 203.2
[M+K]+ 408.241158 192.1
[M+H-H2O]+ 352.275260 183.5
[M+HCOO]- 414.276201 201.7
[M+CH3COO]- 428.291851 199.1
[M+Na-2H]- 390.252666 191.0
[M]+ 369.27745142 181.2
[M]- 369.27854858 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.