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]+ 250.15500 155.6
[M+Na]+ 272.13694 159.2
[M-H]- 248.14044 161.8
[M+NH4]+ 267.18154 171.6
[M+K]+ 288.11088 164.0
[M+H-H2O]+ 232.14498 148.4
[M+HCOO]- 294.14592 181.2
[M+CH3COO]- 308.16157 206.9
[M+Na-2H]- 270.12239 158.8
[M]+ 249.14717 154.2
[M]- 249.14827 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.