CID 6450793

Sr 44430 a

Structural Information

Molecular Formula
C25H26ClNO2
SMILES
CN(C)CCC(COC(=O)/C=C/C1=CC=C(C=C1)Cl)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C25H26ClNO2/c1-27(2)17-16-21(24-9-5-7-20-6-3-4-8-23(20)24)18-29-25(28)15-12-19-10-13-22(26)14-11-19/h3-15,21H,16-18H2,1-2H3/b15-12+
InChIKey
DMEUBKCQRAEEAW-NTCAYCPXSA-N
Compound name
[4-(dimethylamino)-2-naphthalen-1-ylbutyl] (E)-3-(4-chlorophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.1652 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.17248 201.3
[M+Na]+ 430.15442 206.2
[M-H]- 406.15792 208.7
[M+NH4]+ 425.19902 213.6
[M+K]+ 446.12836 199.8
[M+H-H2O]+ 390.16246 192.1
[M+HCOO]- 452.16340 217.3
[M+CH3COO]- 466.17905 229.2
[M+Na-2H]- 428.13987 201.8
[M]+ 407.16465 206.5
[M]- 407.16575 206.5
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.