CID 3010970

Schembl14432779

Structural Information

Molecular Formula
C14H14N4
SMILES
C1=CC=C(C=C1)CNC2=CC3=C(C=C2)N=C(N3)N
InChI
InChI=1S/C14H14N4/c15-14-17-12-7-6-11(8-13(12)18-14)16-9-10-4-2-1-3-5-10/h1-8,16H,9H2,(H3,15,17,18)
InChIKey
SIANOSOHFRZLPI-UHFFFAOYSA-N
Compound name
5-N-benzyl-3H-benzimidazole-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

238.12184 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.12912 150.1
[M+Na]+ 261.11106 159.0
[M-H]- 237.11456 154.2
[M+NH4]+ 256.15566 166.5
[M+K]+ 277.08500 152.6
[M+H-H2O]+ 221.11910 141.6
[M+HCOO]- 283.12004 174.0
[M+CH3COO]- 297.13569 162.2
[M+Na-2H]- 259.09651 158.2
[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.