CID 3033455

Antibiotic g 1499-2

Structural Information

Molecular Formula
C18H21NO
SMILES
CCC/C(=C/1\CC1C2=C(C(=O)C3=CC=CC=C3N2)C)/C
InChI
InChI=1S/C18H21NO/c1-4-7-11(2)14-10-15(14)17-12(3)18(20)13-8-5-6-9-16(13)19-17/h5-6,8-9,15H,4,7,10H2,1-3H3,(H,19,20)/b14-11+
InChIKey
QEKQMEQFJREWKU-SDNWHVSQSA-N
Compound name
3-methyl-2-[(2E)-2-pentan-2-ylidenecyclopropyl]-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

267.16232 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 163.7
[M+Na]+ 290.15154 174.0
[M-H]- 266.15504 169.5
[M+NH4]+ 285.19614 175.2
[M+K]+ 306.12548 167.0
[M+H-H2O]+ 250.15958 156.2
[M+HCOO]- 312.16052 182.4
[M+CH3COO]- 326.17617 202.2
[M+Na-2H]- 288.13699 166.1
[M]+ 267.16177 166.1
[M]- 267.16287 166.1
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