CID 58490213

Bz-tz-acid

Structural Information

Molecular Formula
C14H15N5O3
SMILES
C1=CC(=CC=C1CNC(=O)CCCC(=O)O)C2=NN=CN=N2
InChI
InChI=1S/C14H15N5O3/c20-12(2-1-3-13(21)22)15-8-10-4-6-11(7-5-10)14-18-16-9-17-19-14/h4-7,9H,1-3,8H2,(H,15,20)(H,21,22)
InChIKey
KWNYIZNORNUUJQ-UHFFFAOYSA-N
Compound name
5-oxo-5-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

301.1175 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.12478 168.8
[M+Na]+ 324.10672 174.8
[M-H]- 300.11022 168.6
[M+NH4]+ 319.15132 176.6
[M+K]+ 340.08066 170.4
[M+H-H2O]+ 284.11476 157.9
[M+HCOO]- 346.11570 186.3
[M+CH3COO]- 360.13135 202.4
[M+Na-2H]- 322.09217 174.4
[M]+ 301.11695 169.1
[M]- 301.11805 169.1
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