CID 380600

Nsc666275

Structural Information

Molecular Formula
C16H15N3O2
SMILES
CC1=C(C2=NC3=CC=CC=C3N2C(=O)C1(C)CCO)C#N
InChI
InChI=1S/C16H15N3O2/c1-10-11(9-17)14-18-12-5-3-4-6-13(12)19(14)15(21)16(10,2)7-8-20/h3-6,20H,7-8H2,1-2H3
InChIKey
NGYLOTNRXJUIJP-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethyl)-2,3-dimethyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11642 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 166.1
[M+Na]+ 304.10564 180.4
[M-H]- 280.10914 167.6
[M+NH4]+ 299.15024 183.3
[M+K]+ 320.07958 171.9
[M+H-H2O]+ 264.11368 152.5
[M+HCOO]- 326.11462 181.7
[M+CH3COO]- 340.13027 176.8
[M+Na-2H]- 302.09109 170.4
[M]+ 281.11587 164.6
[M]- 281.11697 164.6
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.