CID 24845167

88149-59-1

Structural Information

Molecular Formula
C22H21NO4
SMILES
CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)OC3=CC=CC=C3OC
InChI
InChI=1S/C22H21NO4/c1-15-8-10-16(11-9-15)22(25)18-13-12-17(23(18)2)14-21(24)27-20-7-5-4-6-19(20)26-3/h4-13H,14H2,1-3H3
InChIKey
QVLFOXWWEVUHME-UHFFFAOYSA-N
Compound name
(2-methoxyphenyl) 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.14706 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15434 186.5
[M+Na]+ 386.13628 193.8
[M-H]- 362.13978 195.5
[M+NH4]+ 381.18088 199.1
[M+K]+ 402.11022 190.0
[M+H-H2O]+ 346.14432 177.1
[M+HCOO]- 408.14526 208.0
[M+CH3COO]- 422.16091 216.6
[M+Na-2H]- 384.12173 184.9
[M]+ 363.14651 191.4
[M]- 363.14761 191.4
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