CID 24212689

853317-97-2

Structural Information

Molecular Formula
C30H28N2O3
SMILES
CCOC(=O)C1=C2N(C3=C(N2C(=C1)C(=O)C4=CC=C(C=C4)C)C=C(C(=C3)C)C)CC5=CC=CC=C5
InChI
InChI=1S/C30H28N2O3/c1-5-35-30(34)24-17-27(28(33)23-13-11-19(2)12-14-23)32-26-16-21(4)20(3)15-25(26)31(29(24)32)18-22-9-7-6-8-10-22/h6-17H,5,18H2,1-4H3
InChIKey
KHTXMGDMOFAFEB-UHFFFAOYSA-N
Compound name
ethyl 4-benzyl-6,7-dimethyl-1-(4-methylbenzoyl)pyrrolo[1,2-a]benzimidazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.21 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.21728 218.9
[M+Na]+ 487.19922 229.0
[M-H]- 463.20272 229.7
[M+NH4]+ 482.24382 230.2
[M+K]+ 503.17316 222.0
[M+H-H2O]+ 447.20726 208.8
[M+HCOO]- 509.20820 238.5
[M+CH3COO]- 523.22385 228.5
[M+Na-2H]- 485.18467 214.9
[M]+ 464.20945 227.5
[M]- 464.21055 227.5
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.