CID 24674

Bismarck brown r base

Structural Information

Molecular Formula
C21H24N8
SMILES
CC1=C(C=C(C=C1)N=NC2=C(C=C(C(=C2)C)N)N)N=NC3=C(C=C(C(=C3)C)N)N
InChI
InChI=1S/C21H24N8/c1-11-4-5-14(26-28-20-6-12(2)15(22)9-17(20)24)8-19(11)27-29-21-7-13(3)16(23)10-18(21)25/h4-10H,22-25H2,1-3H3
InChIKey
SOJKLCSQJMPLCK-UHFFFAOYSA-N
Compound name
4-[[3-[(2,4-diamino-5-methylphenyl)diazenyl]-4-methylphenyl]diazenyl]-6-methylbenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

1558
Patents

388.2124 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.219676 198.3
[M+Na]+ 411.201618 206.3
[M-H]- 387.205124 212.7
[M+NH4]+ 406.246223 209.9
[M+K]+ 427.175558 202.5
[M+H-H2O]+ 371.209660 186.5
[M+HCOO]- 433.210601 232.5
[M+CH3COO]- 447.226251 254.3
[M+Na-2H]- 409.187066 200.3
[M]+ 388.21185142 197.1
[M]- 388.21294858 197.1
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

patents stripe