CID 11532940

Schembl2686614

Structural Information

Molecular Formula
C25H27Cl2N3O2
SMILES
CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)N(CCOC)C3=C(C=CC=N3)Cl
InChI
InChI=1S/C25H27Cl2N3O2/c1-25(2,3)18-8-10-19(11-9-18)29-24(31)17-7-12-20(26)22(16-17)30(14-15-32-4)23-21(27)6-5-13-28-23/h5-13,16H,14-15H2,1-4H3,(H,29,31)
InChIKey
ZYJYGKAKEUKYMJ-UHFFFAOYSA-N
Compound name
N-(4-tert-butylphenyl)-4-chloro-3-[(3-chloropyridin-2-yl)-(2-methoxyethyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

471.14804 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.15532 214.4
[M+Na]+ 494.13726 220.8
[M-H]- 470.14076 223.0
[M+NH4]+ 489.18186 222.6
[M+K]+ 510.11120 214.4
[M+H-H2O]+ 454.14530 204.3
[M+HCOO]- 516.14624 225.8
[M+CH3COO]- 530.16189 241.4
[M+Na-2H]- 492.12271 215.0
[M]+ 471.14749 221.4
[M]- 471.14859 221.4
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

patents stripe