CID 45051113

853318-35-1

Structural Information

Molecular Formula
C26H25N3O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC(=C3N2C=CC4=CC=CC=C43)C#N
InChI
InChI=1S/C26H25N3O/c1-16(2)20-10-7-11-21(17(3)4)24(20)28-26(30)23-14-19(15-27)25-22-9-6-5-8-18(22)12-13-29(23)25/h5-14,16-17H,1-4H3,(H,28,30)
InChIKey
XPLONQUUEXAJAD-UHFFFAOYSA-N
Compound name
1-cyano-N-[2,6-di(propan-2-yl)phenyl]pyrrolo[2,1-a]isoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.19977 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.20705 201.0
[M+Na]+ 418.18899 214.8
[M+NH4]+ 413.23359 205.3
[M+K]+ 434.16293 204.6
[M-H]- 394.19249 198.5
[M+Na-2H]- 416.17444 204.2
[M]+ 395.19922 201.6
[M]- 395.20032 201.6
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.