CID 4174916

116477-93-1

Structural Information

Molecular Formula
C21H17N5O
SMILES
CC(C)C1=CC=C(C=C1)C(=O)NC2=NC3=NC4=CC=CC=C4N3C=C2C#N
InChI
InChI=1S/C21H17N5O/c1-13(2)14-7-9-15(10-8-14)20(27)24-19-16(11-22)12-26-18-6-4-3-5-17(18)23-21(26)25-19/h3-10,12-13H,1-2H3,(H,23,24,25,27)
InChIKey
BXCNAOMDTAZIDQ-UHFFFAOYSA-N
Compound name
N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-4-propan-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1433 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.15058 190.2
[M+Na]+ 378.13252 201.1
[M-H]- 354.13602 192.5
[M+NH4]+ 373.17712 200.2
[M+K]+ 394.10646 191.6
[M+H-H2O]+ 338.14056 172.8
[M+HCOO]- 400.14150 204.8
[M+CH3COO]- 414.15715 197.8
[M+Na-2H]- 376.11797 192.5
[M]+ 355.14275 186.7
[M]- 355.14385 186.7
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.