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]+ 248.11823 153.0
[M+Na]+ 270.10017 165.2
[M-H]- 246.10367 156.3
[M+NH4]+ 265.14477 171.9
[M+K]+ 286.07411 157.3
[M+H-H2O]+ 230.10821 145.2
[M+HCOO]- 292.10915 174.6
[M+CH3COO]- 306.12480 165.7
[M+Na-2H]- 268.08562 162.8
[M]+ 247.11040 154.2
[M]- 247.11150 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.