CID 59785828

1038916-43-6

Structural Information

Molecular Formula
C14H17N3O4
SMILES
CC(C)(C)OC(=O)NCC1=CN2C=C(N=C2C=C1)C(=O)O
InChI
InChI=1S/C14H17N3O4/c1-14(2,3)21-13(20)15-6-9-4-5-11-16-10(12(18)19)8-17(11)7-9/h4-5,7-8H,6H2,1-3H3,(H,15,20)(H,18,19)
InChIKey
WVHMCPQUEKHOJU-UHFFFAOYSA-N
Compound name
6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

291.12192 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.129196 166.6
[M+Na]+ 314.111138 174.7
[M-H]- 290.114644 168.0
[M+NH4]+ 309.155743 181.6
[M+K]+ 330.085078 172.5
[M+H-H2O]+ 274.119180 159.6
[M+HCOO]- 336.120121 186.1
[M+CH3COO]- 350.135771 200.4
[M+Na-2H]- 312.096586 171.3
[M]+ 291.12137142 170.8
[M]- 291.12246858 170.8
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