CID 135602188

Dtxsid6073025

Structural Information

Molecular Formula
C21H27N3O2
SMILES
CCN(CC)C1=CC(=C(C=C1)N=C2C=CC(=O)C(=C2)NC(=O)C(C)C)C
InChI
InChI=1S/C21H27N3O2/c1-6-24(7-2)17-9-10-18(15(5)12-17)22-16-8-11-20(25)19(13-16)23-21(26)14(3)4/h8-14H,6-7H2,1-5H3,(H,23,26)
InChIKey
HFPYUTMOGZGTHE-UHFFFAOYSA-N
Compound name
N-[3-[4-(diethylamino)-2-methylphenyl]imino-6-oxocyclohexa-1,4-dien-1-yl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

353.21033 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.21761 188.2
[M+Na]+ 376.19955 192.7
[M-H]- 352.20305 197.3
[M+NH4]+ 371.24415 201.7
[M+K]+ 392.17349 190.3
[M+H-H2O]+ 336.20759 178.9
[M+HCOO]- 398.20853 212.8
[M+CH3COO]- 412.22418 231.1
[M+Na-2H]- 374.18500 187.2
[M]+ 353.20978 190.2
[M]- 353.21088 190.2
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.