CID 91647711

120642-87-7

Structural Information

Molecular Formula
C15H16N2O4
SMILES
CC(C)(C)OC(=O)NC1=CC=C(C=C1)N2C(=O)C=CC2=O
InChI
InChI=1S/C15H16N2O4/c1-15(2,3)21-14(20)16-10-4-6-11(7-5-10)17-12(18)8-9-13(17)19/h4-9H,1-3H3,(H,16,20)
InChIKey
ROQJPFYWZIVRPD-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(2,5-dioxopyrrol-1-yl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.111 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11828 164.7
[M+Na]+ 311.10022 172.4
[M-H]- 287.10372 170.8
[M+NH4]+ 306.14482 180.7
[M+K]+ 327.07416 170.1
[M+H-H2O]+ 271.10826 157.6
[M+HCOO]- 333.10920 186.7
[M+CH3COO]- 347.12485 201.4
[M+Na-2H]- 309.08567 167.3
[M]+ 288.11045 166.8
[M]- 288.11155 166.8
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

No patent data available for this compound.