CID 461162

13901-82-1

Structural Information

Molecular Formula
C16H17NO4
SMILES
CC1=C(C(=C(N1C2=CC=CC=C2)C)C(=O)OC)C(=O)OC
InChI
InChI=1S/C16H17NO4/c1-10-13(15(18)20-3)14(16(19)21-4)11(2)17(10)12-8-6-5-7-9-12/h5-9H,1-4H3
InChIKey
CTZRWCSFBRGFNT-UHFFFAOYSA-N
Compound name
dimethyl 2,5-dimethyl-1-phenylpyrrole-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.11575 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.12303 164.0
[M+Na]+ 310.10497 173.1
[M-H]- 286.10847 170.5
[M+NH4]+ 305.14957 180.7
[M+K]+ 326.07891 171.1
[M+H-H2O]+ 270.11301 156.7
[M+HCOO]- 332.11395 186.5
[M+CH3COO]- 346.12960 202.2
[M+Na-2H]- 308.09042 163.6
[M]+ 287.11520 169.7
[M]- 287.11630 169.7
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.