CID 122483457

Mutanolysin

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]+ 272.175736 164.4
[M+Na]+ 294.157678 173.3
[M-H]- 270.161184 172.4
[M+NH4]+ 289.202283 177.4
[M+K]+ 310.131618 166.9
[M+H-H2O]+ 254.165720 156.9
[M+HCOO]- 316.166661 183.5
[M+CH3COO]- 330.182311 175.2
[M+Na-2H]- 292.143126 163.1
[M]+ 271.16791142 163.2
[M]- 271.16900858 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