CID 3024364

Buhrjfwldbhdoo-uhfffaoysa-n

Structural Information

Molecular Formula
C21H24N2O4
SMILES
COCCOC1=C(C=C(C=C1OC)C(=CCNC2=CC=CC=C2)C#N)OC
InChI
InChI=1S/C21H24N2O4/c1-24-11-12-27-21-19(25-2)13-17(14-20(21)26-3)16(15-22)9-10-23-18-7-5-4-6-8-18/h4-9,13-14,23H,10-12H2,1-3H3
InChIKey
BUHRJFWLDBHDOO-UHFFFAOYSA-N
Compound name
4-anilino-2-[3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]but-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1736 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.180876 189.3
[M+Na]+ 391.162818 196.7
[M-H]- 367.166324 193.9
[M+NH4]+ 386.207423 199.7
[M+K]+ 407.136758 192.1
[M+H-H2O]+ 351.170860 173.8
[M+HCOO]- 413.171801 208.4
[M+CH3COO]- 427.187451 228.3
[M+Na-2H]- 389.148266 190.2
[M]+ 368.17305142 189.4
[M]- 368.17414858 189.4
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.