CID 54698233

Schembl6076799

Structural Information

Molecular Formula
C19H24N2O6
SMILES
CC(C)(C)OC(=O)C1=CC=C(C=C1)CN(C(=O)C2=C(C(=O)N(C2)C)O)OC
InChI
InChI=1S/C19H24N2O6/c1-19(2,3)27-18(25)13-8-6-12(7-9-13)10-21(26-5)16(23)14-11-20(4)17(24)15(14)22/h6-9,22H,10-11H2,1-5H3
InChIKey
GJNGBVANNQCCGC-UHFFFAOYSA-N
Compound name
tert-butyl 4-[[(4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carbonyl)-methoxyamino]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

376.16342 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.17070 186.0
[M+Na]+ 399.15264 191.7
[M-H]- 375.15614 191.9
[M+NH4]+ 394.19724 198.2
[M+K]+ 415.12658 191.4
[M+H-H2O]+ 359.16068 178.6
[M+HCOO]- 421.16162 205.0
[M+CH3COO]- 435.17727 220.9
[M+Na-2H]- 397.13809 184.3
[M]+ 376.16287 191.5
[M]- 376.16397 191.5
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