CID 135408802

96141-86-5

Structural Information

Molecular Formula
C19H23N3O2
SMILES
CCN(CC)C1=CC(=C(C=C1)N=C2C=CC(=O)C(=C2)NC(=O)C)C
InChI
InChI=1S/C19H23N3O2/c1-5-22(6-2)16-8-9-17(13(3)11-16)21-15-7-10-19(24)18(12-15)20-14(4)23/h7-12H,5-6H2,1-4H3,(H,20,23)
InChIKey
CHGIHVWOAFUQLD-UHFFFAOYSA-N
Compound name
N-[3-[4-(diethylamino)-2-methylphenyl]imino-6-oxocyclohexa-1,4-dien-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

325.17902 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.18630 180.1
[M+Na]+ 348.16824 191.2
[M+NH4]+ 343.21284 186.7
[M+K]+ 364.14218 184.3
[M-H]- 324.17174 185.6
[M+Na-2H]- 346.15369 186.9
[M]+ 325.17847 183.0
[M]- 325.17957 183.0
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

patents stripe