CID 457420

Dihydroazarole

Structural Information

Molecular Formula
C14H14N4
SMILES
C1=CN(C=C1)NC2=CC=C(C=C2)NN3C=CC=C3
InChI
InChI=1S/C14H14N4/c1-2-10-17(9-1)15-13-5-7-14(8-6-13)16-18-11-3-4-12-18/h1-12,15-16H
InChIKey
PIWPJSDQCKMNLG-UHFFFAOYSA-N
Compound name
1-N,4-N-di(pyrrol-1-yl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

238.12184 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.12912 148.3
[M+Na]+ 261.11106 156.2
[M-H]- 237.11456 156.4
[M+NH4]+ 256.15566 165.8
[M+K]+ 277.08500 151.7
[M+H-H2O]+ 221.11910 138.8
[M+HCOO]- 283.12004 176.6
[M+CH3COO]- 297.13569 161.4
[M+Na-2H]- 259.09651 155.1
[M]+ 238.12129 148.1
[M]- 238.12239 148.1
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

No patent data available for this compound.