CID 486948

3-amino-4-(m-tolylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

Structural Information

Molecular Formula
C16H18N2O
SMILES
CC1=CC(=CC=C1)CC2=C(C(=O)NC3=C2CCC3)N
InChI
InChI=1S/C16H18N2O/c1-10-4-2-5-11(8-10)9-13-12-6-3-7-14(12)18-16(19)15(13)17/h2,4-5,8H,3,6-7,9,17H2,1H3,(H,18,19)
InChIKey
MGLWNTCLPOFZPT-UHFFFAOYSA-N
Compound name
3-amino-4-[(3-methylphenyl)methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1419 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14918 158.5
[M+Na]+ 277.13112 167.2
[M-H]- 253.13462 163.6
[M+NH4]+ 272.17572 176.3
[M+K]+ 293.10506 161.0
[M+H-H2O]+ 237.13916 151.2
[M+HCOO]- 299.14010 179.3
[M+CH3COO]- 313.15575 170.3
[M+Na-2H]- 275.11657 161.0
[M]+ 254.14135 155.8
[M]- 254.14245 155.8
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.