CID 11676921

Schembl2685493

Structural Information

Molecular Formula
C24H25Cl2N3O2
SMILES
CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)N(CCO)C3=C(C=CC=N3)Cl
InChI
InChI=1S/C24H25Cl2N3O2/c1-24(2,3)17-7-9-18(10-8-17)28-23(31)16-6-11-19(25)21(15-16)29(13-14-30)22-20(26)5-4-12-27-22/h4-12,15,30H,13-14H2,1-3H3,(H,28,31)
InChIKey
PUELSMJKWSTCFR-UHFFFAOYSA-N
Compound name
N-(4-tert-butylphenyl)-4-chloro-3-[(3-chloropyridin-2-yl)-(2-hydroxyethyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

457.1324 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.13968 209.3
[M+Na]+ 480.12162 215.8
[M-H]- 456.12512 216.9
[M+NH4]+ 475.16622 217.4
[M+K]+ 496.09556 208.9
[M+H-H2O]+ 440.12966 199.9
[M+HCOO]- 502.13060 219.7
[M+CH3COO]- 516.14625 236.3
[M+Na-2H]- 478.10707 210.2
[M]+ 457.13185 214.3
[M]- 457.13295 214.3
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