CID 135602143

Acetamide, n-(3-((4-(diethylamino)phenyl)imino)-6-oxo-1,4-cyclohexadien-1-yl)-

Structural Information

Molecular Formula
C18H21N3O2
SMILES
CCN(CC)C1=CC=C(C=C1)N=C2C=CC(=O)C(=C2)NC(=O)C
InChI
InChI=1S/C18H21N3O2/c1-4-21(5-2)16-9-6-14(7-10-16)20-15-8-11-18(23)17(12-15)19-13(3)22/h6-12H,4-5H2,1-3H3,(H,19,22)
InChIKey
XAOHEIMEFGHVLV-UHFFFAOYSA-N
Compound name
N-[3-[4-(diethylamino)phenyl]imino-6-oxocyclohexa-1,4-dien-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

311.1634 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17068 174.5
[M+Na]+ 334.15262 179.7
[M-H]- 310.15612 183.7
[M+NH4]+ 329.19722 189.5
[M+K]+ 350.12656 177.3
[M+H-H2O]+ 294.16066 165.3
[M+HCOO]- 356.16160 201.1
[M+CH3COO]- 370.17725 220.0
[M+Na-2H]- 332.13807 177.0
[M]+ 311.16285 175.7
[M]- 311.16395 175.7
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