CID 388458

Nsc683388

Structural Information

Molecular Formula
C22H17N3
SMILES
C1C(N2C3=CC=CC=C3N=C2N=C1C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C22H17N3/c1-3-9-16(10-4-1)19-15-21(17-11-5-2-6-12-17)25-20-14-8-7-13-18(20)23-22(25)24-19/h1-14,21H,15H2
InChIKey
RGLLBGFSRMGPCW-UHFFFAOYSA-N
Compound name
2,4-diphenyl-3,4-dihydropyrimido[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.14224 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14952 177.7
[M+Na]+ 346.13146 187.3
[M-H]- 322.13496 185.3
[M+NH4]+ 341.17606 190.7
[M+K]+ 362.10540 178.7
[M+H-H2O]+ 306.13950 165.7
[M+HCOO]- 368.14044 196.4
[M+CH3COO]- 382.15609 188.1
[M+Na-2H]- 344.11691 183.8
[M]+ 323.14169 177.2
[M]- 323.14279 177.2
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.