CID 15954783

Schembl10507690

Structural Information

Molecular Formula
C19H25N5O2
SMILES
CC1=NOC(=C1)CCCCCCCOC2=CC=C(C=C2)C3=NN(N=N3)C
InChI
InChI=1S/C19H25N5O2/c1-15-14-18(26-22-15)8-6-4-3-5-7-13-25-17-11-9-16(10-12-17)19-20-23-24(2)21-19/h9-12,14H,3-8,13H2,1-2H3
InChIKey
QEZKEIXYSLQVOP-UHFFFAOYSA-N
Compound name
3-methyl-5-[7-[4-(2-methyltetrazol-5-yl)phenoxy]heptyl]-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

355.20084 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.208116 184.5
[M+Na]+ 378.190058 193.5
[M-H]- 354.193564 189.0
[M+NH4]+ 373.234663 192.8
[M+K]+ 394.163998 189.3
[M+H-H2O]+ 338.198100 172.8
[M+HCOO]- 400.199041 204.0
[M+CH3COO]- 414.214691 194.5
[M+Na-2H]- 376.175506 185.2
[M]+ 355.20029142 192.5
[M]- 355.20138858 192.5
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