CID 16077761

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

Structural Information

Molecular Formula
C30H30Cl2N6O2S
SMILES
C1CCN(C1)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/C30H30Cl2N6O2S/c31-25-17-22(21-5-9-24(10-6-21)40-16-15-37-13-1-2-14-37)7-11-27(25)33-29(39)19-41-30-34-35-36-38(30)28-12-8-23(18-26(28)32)20-3-4-20/h5-12,17-18,20H,1-4,13-16,19H2,(H,33,39)
InChIKey
OJJCSDMYCNLZND-UHFFFAOYSA-N
Compound name
2-[1-(2-chloro-4-cyclopropylphenyl)tetrazol-5-yl]sulfanyl-N-[2-chloro-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

608.1528 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.16008 230.8
[M+Na]+ 631.14202 238.0
[M-H]- 607.14552 241.5
[M+NH4]+ 626.18662 227.3
[M+K]+ 647.11596 228.6
[M+H-H2O]+ 591.15006 219.5
[M+HCOO]- 653.15100 233.7
[M+CH3COO]- 667.16665 235.1
[M+Na-2H]- 629.12747 223.1
[M]+ 608.15225 237.7
[M]- 608.15335 237.7
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.