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

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 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

No literature data available for this compound.

Patent stripe

patents stripe