CID 11582721

Schembl2684378

Structural Information

Molecular Formula
C23H23Cl2N3O
SMILES
CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)N(C)C3=C(C=CC=N3)Cl
InChI
InChI=1S/C23H23Cl2N3O/c1-23(2,3)16-8-10-17(11-9-16)27-22(29)15-7-12-18(24)20(14-15)28(4)21-19(25)6-5-13-26-21/h5-14H,1-4H3,(H,27,29)
InChIKey
KDJDFSOSSGWODT-UHFFFAOYSA-N
Compound name
N-(4-tert-butylphenyl)-4-chloro-3-[(3-chloro-2-pyridinyl)-methylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

427.12183 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.12911 203.0
[M+Na]+ 450.11105 210.5
[M-H]- 426.11455 211.9
[M+NH4]+ 445.15565 213.0
[M+K]+ 466.08499 203.7
[M+H-H2O]+ 410.11909 193.5
[M+HCOO]- 472.12003 214.8
[M+CH3COO]- 486.13568 233.6
[M+Na-2H]- 448.09650 204.4
[M]+ 427.12128 208.0
[M]- 427.12238 208.0
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