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]+ 312.170676 174.5
[M+Na]+ 334.152618 179.7
[M-H]- 310.156124 183.7
[M+NH4]+ 329.197223 189.5
[M+K]+ 350.126558 177.3
[M+H-H2O]+ 294.160660 165.3
[M+HCOO]- 356.161601 201.1
[M+CH3COO]- 370.177251 220.0
[M+Na-2H]- 332.138066 177.0
[M]+ 311.16285142 175.7
[M]- 311.16394858 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