CID 4586806

618444-30-7

Structural Information

Molecular Formula
C25H24N2O3
SMILES
CCOC(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1)C(=O)NC4=CC=C(C=C4)C(C)C
InChI
InChI=1S/C25H24N2O3/c1-4-30-25(29)21-15-22(24(28)26-19-11-9-17(10-12-19)16(2)3)27-14-13-18-7-5-6-8-20(18)23(21)27/h5-16H,4H2,1-3H3,(H,26,28)
InChIKey
NBHKPNXQUBQBEZ-UHFFFAOYSA-N
Compound name
ethyl 3-[(4-propan-2-ylphenyl)carbamoyl]pyrrolo[2,1-a]isoquinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.17868 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.18596 198.8
[M+Na]+ 423.16790 205.8
[M-H]- 399.17140 206.3
[M+NH4]+ 418.21250 211.6
[M+K]+ 439.14184 200.6
[M+H-H2O]+ 383.17594 189.4
[M+HCOO]- 445.17688 218.4
[M+CH3COO]- 459.19253 228.0
[M+Na-2H]- 421.15335 199.5
[M]+ 400.17813 203.3
[M]- 400.17923 203.3
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.