CID 278829

Nsc128760

Structural Information

Molecular Formula
C21H16N4
SMILES
CC1=CC2=C(C=C1)N3C(=NC4=CC=CC=C4C3=N2)C5=CC=CC=C5N
InChI
InChI=1S/C21H16N4/c1-13-10-11-19-18(12-13)24-21-15-7-3-5-9-17(15)23-20(25(19)21)14-6-2-4-8-16(14)22/h2-12H,22H2,1H3
InChIKey
HZQPPZUQPLWLDV-UHFFFAOYSA-N
Compound name
2-(10-methylbenzimidazolo[1,2-c]quinazolin-6-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

324.13748 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14476 178.1
[M+Na]+ 347.12670 191.2
[M-H]- 323.13020 184.8
[M+NH4]+ 342.17130 192.8
[M+K]+ 363.10064 182.2
[M+H-H2O]+ 307.13474 167.5
[M+HCOO]- 369.13568 198.9
[M+CH3COO]- 383.15133 189.7
[M+Na-2H]- 345.11215 185.9
[M]+ 324.13693 181.1
[M]- 324.13803 181.1
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.