CID 163643

Benzenamine, n-ethyl-4-[[4-(ethylamino)-3-methylphenyl][4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-2-methyl-, monoacetate

Structural Information

Molecular Formula
C28H35N3
SMILES
CCNC1=C(C=C(C=C1)C(=C2C=CC(=NCC)C(=C2)C)C3=CC(=C(C=C3)NCC)C)C
InChI
InChI=1S/C28H35N3/c1-7-29-25-13-10-22(16-19(25)4)28(23-11-14-26(30-8-2)20(5)17-23)24-12-15-27(31-9-3)21(6)18-24/h10-18,29-30H,7-9H2,1-6H3
InChIKey
OFMKLRYSANDJMA-UHFFFAOYSA-N
Compound name
N-ethyl-4-[[4-(ethylamino)-3-methylphenyl]-(4-ethylimino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

413.2831 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.29038 208.9
[M+Na]+ 436.27232 213.4
[M-H]- 412.27582 219.2
[M+NH4]+ 431.31692 219.5
[M+K]+ 452.24626 206.4
[M+H-H2O]+ 396.28036 198.0
[M+HCOO]- 458.28130 232.0
[M+CH3COO]- 472.29695 242.5
[M+Na-2H]- 434.25777 206.9
[M]+ 413.28255 208.6
[M]- 413.28365 208.6
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.