CID 3088888

Sr 44225 a

Structural Information

Molecular Formula
C27H31Cl2NO2
SMILES
CC(C)N(CCC(COC(=O)C1=C(C=C(C=C1)Cl)Cl)C2=CC=CC3=CC=CC=C32)C(C)C
InChI
InChI=1S/C27H31Cl2NO2/c1-18(2)30(19(3)4)15-14-21(24-11-7-9-20-8-5-6-10-23(20)24)17-32-27(31)25-13-12-22(28)16-26(25)29/h5-13,16,18-19,21H,14-15,17H2,1-4H3
InChIKey
PMMZTMHGNUKALO-UHFFFAOYSA-N
Compound name
[4-[di(propan-2-yl)amino]-2-naphthalen-1-ylbutyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.1732 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.18048 213.7
[M+Na]+ 494.16242 218.2
[M-H]- 470.16592 220.5
[M+NH4]+ 489.20702 224.2
[M+K]+ 510.13636 212.2
[M+H-H2O]+ 454.17046 205.6
[M+HCOO]- 516.17140 222.1
[M+CH3COO]- 530.18705 242.7
[M+Na-2H]- 492.14787 209.9
[M]+ 471.17265 221.5
[M]- 471.17375 221.5
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.