CID 5275124

1h-tetrazole, 5-[[2-(2-chlorophenyl)-3-methylcyclopropyl]thio]-1-(1-naphthalenyl)-

Structural Information

Molecular Formula
C21H17ClN4S
SMILES
CC1C(C1SC2=NN=NN2C3=CC=CC4=CC=CC=C43)C5=CC=CC=C5Cl
InChI
InChI=1S/C21H17ClN4S/c1-13-19(16-10-4-5-11-17(16)22)20(13)27-21-23-24-25-26(21)18-12-6-8-14-7-2-3-9-15(14)18/h2-13,19-20H,1H3
InChIKey
MJZWKSWGXWCZNT-UHFFFAOYSA-N
Compound name
5-[2-(2-chlorophenyl)-3-methylcyclopropyl]sulfanyl-1-naphthalen-1-yltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.08624 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.09352 192.8
[M+Na]+ 415.07546 206.9
[M-H]- 391.07896 201.7
[M+NH4]+ 410.12006 198.8
[M+K]+ 431.04940 196.9
[M+H-H2O]+ 375.08350 182.7
[M+HCOO]- 437.08444 204.3
[M+CH3COO]- 451.10009 202.5
[M+Na-2H]- 413.06091 193.0
[M]+ 392.08569 200.7
[M]- 392.08679 200.7
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.