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]+ 304.14043 168.9
[M+Na]+ 326.12237 173.5
[M-H]- 302.12587 170.6
[M+NH4]+ 321.16697 175.3
[M+K]+ 342.09631 170.8
[M+H-H2O]+ 286.13041 157.1
[M+HCOO]- 348.13135 180.5
[M+CH3COO]- 362.14700 176.9
[M+Na-2H]- 324.10782 170.3
[M]+ 303.13260 165.7
[M]- 303.13370 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.