CID 3050914

Brn 0535090

Structural Information

Molecular Formula
C14H19N3O
SMILES
CN1CC2CCC(C1)N2C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C14H19N3O/c1-16-9-12-7-8-13(10-16)17(12)14(18)15-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,15,18)
InChIKey
HOZGFNSFUHTJRF-UHFFFAOYSA-N
Compound name
3-methyl-N-phenyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.15282 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.160096 157.1
[M+Na]+ 268.142038 162.4
[M-H]- 244.145544 159.8
[M+NH4]+ 263.186643 174.7
[M+K]+ 284.115978 158.8
[M+H-H2O]+ 228.150080 148.7
[M+HCOO]- 290.151021 174.0
[M+CH3COO]- 304.166671 167.6
[M+Na-2H]- 266.127486 160.4
[M]+ 245.15227142 153.0
[M]- 245.15336858 153.0
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.