CID 3424246

302912-96-5

Structural Information

Molecular Formula
C24H20N2O3
SMILES
CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C
InChI
InChI=1S/C24H20N2O3/c1-3-29-24(28)19-13-22(23(27)18-7-5-4-6-8-18)26-15-25-20(14-21(19)26)17-11-9-16(2)10-12-17/h4-15H,3H2,1-2H3
InChIKey
CEDPAKWXAPNMPR-UHFFFAOYSA-N
Compound name
ethyl 7-benzoyl-3-(4-methylphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.1474 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.154676 193.6
[M+Na]+ 407.136618 202.3
[M-H]- 383.140124 202.4
[M+NH4]+ 402.181223 204.7
[M+K]+ 423.110558 196.4
[M+H-H2O]+ 367.144660 182.8
[M+HCOO]- 429.145601 213.7
[M+CH3COO]- 443.161251 203.8
[M+Na-2H]- 405.122066 194.5
[M]+ 384.14685142 198.2
[M]- 384.14794858 198.2
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.