CID 481464

Schembl5861690

Structural Information

Molecular Formula
C23H21N5
SMILES
C1CC2=CC=CC=C2C(C3=CC=CC=C31)NC4=CC5=C(C=C4)N=C(N=C5N)N
InChI
InChI=1S/C23H21N5/c24-22-19-13-16(11-12-20(19)27-23(25)28-22)26-21-17-7-3-1-5-14(17)9-10-15-6-2-4-8-18(15)21/h1-8,11-13,21,26H,9-10H2,(H4,24,25,27,28)
InChIKey
CRIGDXGJRVXFPV-UHFFFAOYSA-N
Compound name
6-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)quinazoline-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

367.1797 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.18698 189.8
[M+Na]+ 390.16892 197.6
[M-H]- 366.17242 197.1
[M+NH4]+ 385.21352 200.8
[M+K]+ 406.14286 194.3
[M+H-H2O]+ 350.17696 180.1
[M+HCOO]- 412.17790 207.6
[M+CH3COO]- 426.19355 198.3
[M+Na-2H]- 388.15437 197.2
[M]+ 367.17915 183.7
[M]- 367.18025 183.7
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

patents stripe