CID 3856788

1-cyano-n-(3,5-dimethylphenyl)pyrrolo[2,1-a]isoquinoline-3-carboxamide

Structural Information

Molecular Formula
C22H17N3O
SMILES
CC1=CC(=CC(=C1)NC(=O)C2=CC(=C3N2C=CC4=CC=CC=C43)C#N)C
InChI
InChI=1S/C22H17N3O/c1-14-9-15(2)11-18(10-14)24-22(26)20-12-17(13-23)21-19-6-4-3-5-16(19)7-8-25(20)21/h3-12H,1-2H3,(H,24,26)
InChIKey
KGTPLHUNJSQMQH-UHFFFAOYSA-N
Compound name
1-cyano-N-(3,5-dimethylphenyl)pyrrolo[2,1-a]isoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.13718 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.14446 190.5
[M+Na]+ 362.12640 203.1
[M-H]- 338.12990 196.1
[M+NH4]+ 357.17100 204.4
[M+K]+ 378.10034 192.6
[M+H-H2O]+ 322.13444 175.1
[M+HCOO]- 384.13538 208.5
[M+CH3COO]- 398.15103 199.7
[M+Na-2H]- 360.11185 192.5
[M]+ 339.13663 187.6
[M]- 339.13773 187.6
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.