CID 387849

251983-44-5

Structural Information

Molecular Formula
C23H20N4
SMILES
CC1=CC=C(C=C1)NC2=C3CCCCC3=C(C4=NC5=CC=CC=C5N24)C#N
InChI
InChI=1S/C23H20N4/c1-15-10-12-16(13-11-15)25-22-18-7-3-2-6-17(18)19(14-24)23-26-20-8-4-5-9-21(20)27(22)23/h4-5,8-13,25H,2-3,6-7H2,1H3
InChIKey
JHERFNLEIUWPFX-UHFFFAOYSA-N
Compound name
11-(4-methylanilino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

352.1688 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.17608 189.0
[M+Na]+ 375.15802 200.8
[M-H]- 351.16152 193.0
[M+NH4]+ 370.20262 201.7
[M+K]+ 391.13196 187.9
[M+H-H2O]+ 335.16606 172.2
[M+HCOO]- 397.16700 203.1
[M+CH3COO]- 411.18265 196.9
[M+Na-2H]- 373.14347 192.4
[M]+ 352.16825 183.1
[M]- 352.16935 183.1
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.