CID 390233

Nsc687525

Structural Information

Molecular Formula
C25H21N3
SMILES
CC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C)N2C5=CC=C(C=C5)C
InChI
InChI=1S/C25H21N3/c1-17-8-12-20(13-9-17)24-16-27-23-7-5-4-6-22(23)26-25(27)19(3)28(24)21-14-10-18(2)11-15-21/h4-16H,3H2,1-2H3
InChIKey
PQHWGMCWXYEHIG-UHFFFAOYSA-N
Compound name
1-methylidene-2,3-bis(4-methylphenyl)pyrazino[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.17355 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.18083 193.5
[M+Na]+ 386.16277 204.8
[M-H]- 362.16627 201.8
[M+NH4]+ 381.20737 205.7
[M+K]+ 402.13671 195.0
[M+H-H2O]+ 346.17081 181.5
[M+HCOO]- 408.17175 211.2
[M+CH3COO]- 422.18740 203.6
[M+Na-2H]- 384.14822 195.6
[M]+ 363.17300 194.5
[M]- 363.17410 194.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.