CID 45791295

915922-69-9

Structural Information

Molecular Formula
C14H17N5O3
SMILES
C1COCCN1C(C2=CC=CC=C2)C3=NN=NN3CC(=O)O
InChI
InChI=1S/C14H17N5O3/c20-12(21)10-19-14(15-16-17-19)13(11-4-2-1-3-5-11)18-6-8-22-9-7-18/h1-5,13H,6-10H2,(H,20,21)
InChIKey
WJCGZMJZBWYCBG-UHFFFAOYSA-N
Compound name
2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.13315 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.140426 168.9
[M+Na]+ 326.122368 173.5
[M-H]- 302.125874 170.6
[M+NH4]+ 321.166973 175.3
[M+K]+ 342.096308 170.8
[M+H-H2O]+ 286.130410 157.1
[M+HCOO]- 348.131351 180.5
[M+CH3COO]- 362.147001 176.9
[M+Na-2H]- 324.107816 170.3
[M]+ 303.13260142 165.7
[M]- 303.13369858 165.7
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.