CID 27349

15499-15-7

Structural Information

Molecular Formula
C14H21N3O2
SMILES
CC(=O)NC1=CC=C(C(=O)C=C1)NCCCN(C)C
InChI
InChI=1S/C14H21N3O2/c1-11(18)16-12-5-7-13(14(19)8-6-12)15-9-4-10-17(2)3/h5-8H,4,9-10H2,1-3H3,(H,15,19)(H,16,18)
InChIKey
MGBMBEHKCRQFGA-UHFFFAOYSA-N
Compound name
N-[4-[3-(dimethylamino)propylamino]-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1634 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17068 160.0
[M+Na]+ 286.15262 163.2
[M-H]- 262.15612 166.1
[M+NH4]+ 281.19722 175.5
[M+K]+ 302.12656 167.8
[M+H-H2O]+ 246.16066 152.7
[M+HCOO]- 308.16160 185.3
[M+CH3COO]- 322.17725 209.8
[M+Na-2H]- 284.13807 162.8
[M]+ 263.16285 159.0
[M]- 263.16395 159.0
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.