CID 15920

1900-35-2

Structural Information

Molecular Formula
C16H26N2O
SMILES
CC1C=C(C=C(N(C1=O)CC(C)N2CCCC2)C)C
InChI
InChI=1S/C16H26N2O/c1-12-9-13(2)16(19)18(14(3)10-12)11-15(4)17-7-5-6-8-17/h9-10,13,15H,5-8,11H2,1-4H3
InChIKey
SJFGMTIVTZSZIV-UHFFFAOYSA-N
Compound name
3,5,7-trimethyl-1-(2-pyrrolidin-1-ylpropyl)-3H-azepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

262.2045 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.21178 160.4
[M+Na]+ 285.19372 165.2
[M-H]- 261.19722 165.3
[M+NH4]+ 280.23832 175.6
[M+K]+ 301.16766 166.0
[M+H-H2O]+ 245.20176 152.1
[M+HCOO]- 307.20270 176.8
[M+CH3COO]- 321.21835 201.6
[M+Na-2H]- 283.17917 158.0
[M]+ 262.20395 156.3
[M]- 262.20505 156.3
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