CID 135602143

5991-91-3

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
1
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 175.7
[M+Na]+ 334.15262 186.6
[M+NH4]+ 329.19722 182.5
[M+K]+ 350.12656 179.7
[M-H]- 310.15612 181.1
[M+Na-2H]- 332.13807 183.0
[M]+ 311.16285 178.5
[M]- 311.16395 178.5
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