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]+ 246.16010 157.1
[M+Na]+ 268.14204 162.4
[M-H]- 244.14554 159.8
[M+NH4]+ 263.18664 174.7
[M+K]+ 284.11598 158.8
[M+H-H2O]+ 228.15008 148.7
[M+HCOO]- 290.15102 174.0
[M+CH3COO]- 304.16667 167.6
[M+Na-2H]- 266.12749 160.4
[M]+ 245.15227 153.0
[M]- 245.15337 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.