CID 87932

Imidazo(4,5-d)imidazole-2,5(1h,3h)-diimine, 1,3,4,6-tetrachlorotetrahydro-3a,6a-diphenyl-

Structural Information

Molecular Formula
C16H12Cl4N6
SMILES
C1=CC=C(C=C1)C23C(N(C(=N)N2Cl)Cl)(N(C(=N)N3Cl)Cl)C4=CC=CC=C4
InChI
InChI=1S/C16H12Cl4N6/c17-23-13(21)25(19)16(12-9-5-2-6-10-12)15(23,11-7-3-1-4-8-11)24(18)14(22)26(16)20/h1-10,21-22H
InChIKey
CQICVMXENWMRGJ-UHFFFAOYSA-N
Compound name
1,3,4,6-tetrachloro-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5-diimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

427.98776 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.99504 192.8
[M+Na]+ 450.97698 203.6
[M-H]- 426.98048 195.0
[M+NH4]+ 446.02158 205.8
[M+K]+ 466.95092 195.5
[M+H-H2O]+ 410.98502 182.5
[M+HCOO]- 472.98596 191.0
[M+CH3COO]- 487.00161 199.8
[M+Na-2H]- 448.96243 190.9
[M]+ 427.98721 190.8
[M]- 427.98831 190.8
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