CID 679754

Smr000104555

Structural Information

Molecular Formula
C18H14N4O
SMILES
CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCC4=CC=CO4)C#N
InChI
InChI=1S/C18H14N4O/c1-12-9-17(20-11-13-5-4-8-23-13)22-16-7-3-2-6-15(16)21-18(22)14(12)10-19/h2-9,20H,11H2,1H3
InChIKey
UZZDOZFJXVHURU-UHFFFAOYSA-N
Compound name
1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

302.11676 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12404 172.7
[M+Na]+ 325.10598 186.9
[M-H]- 301.10948 177.9
[M+NH4]+ 320.15058 187.2
[M+K]+ 341.07992 178.5
[M+H-H2O]+ 285.11402 157.3
[M+HCOO]- 347.11496 192.8
[M+CH3COO]- 361.13061 183.6
[M+Na-2H]- 323.09143 177.3
[M]+ 302.11621 172.7
[M]- 302.11731 172.7
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.