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 208.3
[M+Na]+ 418.18899 218.4
[M-H]- 394.19249 213.3
[M+NH4]+ 413.23359 219.9
[M+K]+ 434.16293 208.4
[M+H-H2O]+ 378.19703 192.6
[M+HCOO]- 440.19797 223.2
[M+CH3COO]- 454.21362 215.6
[M+Na-2H]- 416.17444 206.2
[M]+ 395.19922 205.4
[M]- 395.20032 205.4
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

No patent data available for this compound.