CID 5275113

N-(2-chlorophenyl)-4-[1-(1-naphthyl)tetrazol-5-yl]butanamide

Structural Information

Molecular Formula
C21H18ClN5O
SMILES
C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)CCCC(=O)NC4=CC=CC=C4Cl
InChI
InChI=1S/C21H18ClN5O/c22-17-10-3-4-11-18(17)23-21(28)14-6-13-20-24-25-26-27(20)19-12-5-8-15-7-1-2-9-16(15)19/h1-5,7-12H,6,13-14H2,(H,23,28)
InChIKey
XCPSNPCPILZSSC-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-4-(1-naphthalen-1-yltetrazol-5-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.12 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.12728 191.8
[M+Na]+ 414.10922 201.1
[M-H]- 390.11272 197.2
[M+NH4]+ 409.15382 200.4
[M+K]+ 430.08316 192.4
[M+H-H2O]+ 374.11726 179.3
[M+HCOO]- 436.11820 206.9
[M+CH3COO]- 450.13385 200.8
[M+Na-2H]- 412.09467 196.4
[M]+ 391.11945 196.0
[M]- 391.12055 196.0
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.