CID 85739978

1-{1h-phenanthro[9,10-d]imidazol-2-yl}methanamine

Structural Information

Molecular Formula
C16H13N3
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2NC(=N4)CN
InChI
InChI=1S/C16H13N3/c17-9-14-18-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16(15)19-14/h1-8H,9,17H2,(H,18,19)
InChIKey
RQHPWIGKOSNAPY-UHFFFAOYSA-N
Compound name
1H-phenanthro[9,10-d]imidazol-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.11095 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.118226 153.0
[M+Na]+ 270.100168 165.2
[M-H]- 246.103674 156.3
[M+NH4]+ 265.144773 171.9
[M+K]+ 286.074108 157.3
[M+H-H2O]+ 230.108210 145.2
[M+HCOO]- 292.109151 174.6
[M+CH3COO]- 306.124801 165.7
[M+Na-2H]- 268.085616 162.8
[M]+ 247.11040142 154.2
[M]- 247.11149858 154.2
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.