CID 135408802

Ec 414-740-0

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

1
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 179.1
[M+Na]+ 348.16824 184.7
[M-H]- 324.17174 188.4
[M+NH4]+ 343.21284 193.8
[M+K]+ 364.14218 182.2
[M+H-H2O]+ 308.17628 169.9
[M+HCOO]- 370.17722 205.3
[M+CH3COO]- 384.19287 224.3
[M+Na-2H]- 346.15369 180.2
[M]+ 325.17847 181.0
[M]- 325.17957 181.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe