CID 82580

Ethanamine, 2-((4-(3-(4-chlorophenyl)-4,5-dihydro-1h-pyrazol-1-yl)phenyl)sulfonyl)-n,n-dimethyl-

Structural Information

Molecular Formula
C19H22ClN3O2S
SMILES
CN(C)CCS(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H22ClN3O2S/c1-22(2)13-14-26(24,25)18-9-7-17(8-10-18)23-12-11-19(21-23)15-3-5-16(20)6-4-15/h3-10H,11-14H2,1-2H3
InChIKey
UOOLKMBHYQVDNO-UHFFFAOYSA-N
Compound name
2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

391.11212 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.11940 192.4
[M+Na]+ 414.10134 200.8
[M-H]- 390.10484 201.3
[M+NH4]+ 409.14594 204.7
[M+K]+ 430.07528 194.8
[M+H-H2O]+ 374.10938 183.4
[M+HCOO]- 436.11032 204.3
[M+CH3COO]- 450.12597 220.1
[M+Na-2H]- 412.08679 192.1
[M]+ 391.11157 198.1
[M]- 391.11267 198.1
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