CID 122483457

55466-22-3

Structural Information

Molecular Formula
C16H21N3O
SMILES
C1C2C1CN(C2)CC3=CC=C(C=C3)N4CC(CC4=O)N
InChI
InChI=1S/C16H21N3O/c17-14-6-16(20)19(10-14)15-3-1-11(2-4-15)7-18-8-12-5-13(12)9-18/h1-4,12-14H,5-10,17H2
InChIKey
ZQWHFFVAYXOQLE-UHFFFAOYSA-N
Compound name
4-amino-1-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

74
References

5
Patents

271.16846 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.17574 164.4
[M+Na]+ 294.15768 173.3
[M-H]- 270.16118 172.4
[M+NH4]+ 289.20228 177.4
[M+K]+ 310.13162 166.9
[M+H-H2O]+ 254.16572 156.9
[M+HCOO]- 316.16666 183.5
[M+CH3COO]- 330.18231 175.2
[M+Na-2H]- 292.14313 163.1
[M]+ 271.16791 163.2
[M]- 271.16901 163.2
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

patents stripe