CID 159881

Bandrowski's base

Structural Information

Molecular Formula
C18H18N6
SMILES
C1=CC(=CC=C1N)N=C2C=C(C(=NC3=CC=C(C=C3)N)C=C2N)N
InChI
InChI=1S/C18H18N6/c19-11-1-5-13(6-2-11)23-17-9-16(22)18(10-15(17)21)24-14-7-3-12(20)4-8-14/h1-10H,19-22H2
InChIKey
KKJZEUXMWDXPAU-UHFFFAOYSA-N
Compound name
3,6-bis[(4-aminophenyl)imino]cyclohexa-1,4-diene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

26
References

95
Patents

318.1593 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.16658 174.1
[M+Na]+ 341.14852 180.7
[M-H]- 317.15202 185.2
[M+NH4]+ 336.19312 187.1
[M+K]+ 357.12246 175.2
[M+H-H2O]+ 301.15656 163.9
[M+HCOO]- 363.15750 203.7
[M+CH3COO]- 377.17315 227.0
[M+Na-2H]- 339.13397 177.6
[M]+ 318.15875 167.1
[M]- 318.15985 167.1
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