CID 16077762

2-[1-(2-chloro-4-cyclopropyl-phenyl)tetrazol-5-yl]sulfanyl-n-[2-chloro-4-[4-[2-(1-piperidyl)ethoxy]phenyl]phenyl]acetamide

Structural Information

Molecular Formula
C31H32Cl2N6O2S
SMILES
C1CCN(CC1)CCOC2=CC=C(C=C2)C3=CC(=C(C=C3)NC(=O)CSC4=NN=NN4C5=C(C=C(C=C5)C6CC6)Cl)Cl
InChI
InChI=1S/C31H32Cl2N6O2S/c32-26-18-23(22-6-10-25(11-7-22)41-17-16-38-14-2-1-3-15-38)8-12-28(26)34-30(40)20-42-31-35-36-37-39(31)29-13-9-24(19-27(29)33)21-4-5-21/h6-13,18-19,21H,1-5,14-17,20H2,(H,34,40)
InChIKey
IOEHIOSLHPLBMK-UHFFFAOYSA-N
Compound name
2-[1-(2-chloro-4-cyclopropylphenyl)tetrazol-5-yl]sulfanyl-N-[2-chloro-4-[4-(2-piperidin-1-ylethoxy)phenyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

622.16846 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 623.17574 234.2
[M+Na]+ 645.15768 239.9
[M-H]- 621.16118 243.3
[M+NH4]+ 640.20228 227.9
[M+K]+ 661.13162 230.1
[M+H-H2O]+ 605.16572 221.4
[M+HCOO]- 667.16666 234.6
[M+CH3COO]- 681.18231 237.1
[M+Na-2H]- 643.14313 228.3
[M]+ 622.16791 239.0
[M]- 622.16901 239.0
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

No patent data available for this compound.