CID 27349

Brn 2813868

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]+ 264.170676 160.0
[M+Na]+ 286.152618 163.2
[M-H]- 262.156124 166.1
[M+NH4]+ 281.197223 175.5
[M+K]+ 302.126558 167.8
[M+H-H2O]+ 246.160660 152.7
[M+HCOO]- 308.161601 185.3
[M+CH3COO]- 322.177251 209.8
[M+Na-2H]- 284.138066 162.8
[M]+ 263.16285142 159.0
[M]- 263.16394858 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.