CID 5277398

Ethyl n-[7-[bis(4-chlorophenyl)methylamino]-2,3-dihydro-1h-imidazo[4,5-b]pyridin-5-yl]carbamate

Structural Information

Molecular Formula
C22H21Cl2N5O2
SMILES
CCOC(=O)NC1=NC2=C(C(=C1)NC(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)NCN2
InChI
InChI=1S/C22H21Cl2N5O2/c1-2-31-22(30)29-18-11-17(20-21(28-18)26-12-25-20)27-19(13-3-7-15(23)8-4-13)14-5-9-16(24)10-6-14/h3-11,19,25H,2,12H2,1H3,(H3,26,27,28,29,30)
InChIKey
SGXMSIKLQIQEFS-UHFFFAOYSA-N
Compound name
ethyl N-[7-[bis(4-chlorophenyl)methylamino]-2,3-dihydro-1H-imidazo[4,5-b]pyridin-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.10724 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.11452 202.3
[M+Na]+ 480.09646 208.2
[M-H]- 456.09996 205.6
[M+NH4]+ 475.14106 208.7
[M+K]+ 496.07040 199.6
[M+H-H2O]+ 440.10450 192.2
[M+HCOO]- 502.10544 208.4
[M+CH3COO]- 516.12109 208.5
[M+Na-2H]- 478.08191 202.7
[M]+ 457.10669 202.7
[M]- 457.10779 202.7
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.