CID 27342

15499-07-7

Structural Information

Molecular Formula
C13H19N3O2
SMILES
CC(=O)NC1=CC=C(C(=O)C=C1)NCCN(C)C
InChI
InChI=1S/C13H19N3O2/c1-10(17)15-11-4-6-12(13(18)7-5-11)14-8-9-16(2)3/h4-7H,8-9H2,1-3H3,(H,14,18)(H,15,17)
InChIKey
JSLJNUDVJHUZPB-UHFFFAOYSA-N
Compound name
N-[4-[2-(dimethylamino)ethylamino]-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.14772 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.154996 155.6
[M+Na]+ 272.136938 159.2
[M-H]- 248.140444 161.8
[M+NH4]+ 267.181543 171.6
[M+K]+ 288.110878 164.0
[M+H-H2O]+ 232.144980 148.4
[M+HCOO]- 294.145921 181.2
[M+CH3COO]- 308.161571 206.9
[M+Na-2H]- 270.122386 158.8
[M]+ 249.14717142 154.2
[M]- 249.14826858 154.2
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

No patent data available for this compound.