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 163.5
[M+Na]+ 290.15154 179.2
[M+NH4]+ 285.19614 172.3
[M+K]+ 306.12548 172.5
[M-H]- 266.15504 173.8
[M+Na-2H]- 288.13699 172.1
[M]+ 267.16177 169.8
[M]- 267.16287 169.8
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

patents stripe