CID 4586952

370855-03-1

Structural Information

Molecular Formula
C16H19N3O5
SMILES
CC(C)(C)OC(=O)N=NC1=C(N(C2=CC=CC=C21)CC(=O)OC)O
InChI
InChI=1S/C16H19N3O5/c1-16(2,3)24-15(22)18-17-13-10-7-5-6-8-11(10)19(14(13)21)9-12(20)23-4/h5-8,21H,9H2,1-4H3
InChIKey
XZBTXORTJNXBTQ-UHFFFAOYSA-N
Compound name
methyl 2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyldiazenyl]indol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.13248 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.13976 175.4
[M+Na]+ 356.12170 184.2
[M+NH4]+ 351.16630 179.7
[M+K]+ 372.09564 182.9
[M-H]- 332.12520 174.9
[M+Na-2H]- 354.10715 178.4
[M]+ 333.13193 176.0
[M]- 333.13303 176.0
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.