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]+ 292.12920 166.6
[M+Na]+ 314.11114 174.7
[M-H]- 290.11464 168.0
[M+NH4]+ 309.15574 181.6
[M+K]+ 330.08508 172.5
[M+H-H2O]+ 274.11918 159.6
[M+HCOO]- 336.12012 186.1
[M+CH3COO]- 350.13577 200.4
[M+Na-2H]- 312.09659 171.3
[M]+ 291.12137 170.8
[M]- 291.12247 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