CID 3483934

303059-24-7

Structural Information

Molecular Formula
C21H17N5O2
SMILES
CC(C)OC1=CC=CC=C1C(=O)NC2=NC3=NC4=CC=CC=C4N3C=C2C#N
InChI
InChI=1S/C21H17N5O2/c1-13(2)28-18-10-6-3-7-15(18)20(27)24-19-14(11-22)12-26-17-9-5-4-8-16(17)23-21(26)25-19/h3-10,12-13H,1-2H3,(H,23,24,25,27)
InChIKey
XVDXSPFNBJAEJE-UHFFFAOYSA-N
Compound name
N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-propan-2-yloxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.1382 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.14548 192.1
[M+Na]+ 394.12742 202.6
[M-H]- 370.13092 194.3
[M+NH4]+ 389.17202 201.4
[M+K]+ 410.10136 194.0
[M+H-H2O]+ 354.13546 174.5
[M+HCOO]- 416.13640 206.8
[M+CH3COO]- 430.15205 199.5
[M+Na-2H]- 392.11287 194.6
[M]+ 371.13765 189.7
[M]- 371.13875 189.7
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.