CID 9795793

Ym116

Structural Information

Molecular Formula
C16H13N3
SMILES
C1=CC=C2C(=C1)C3=C(N2)C=C(C=C3)CC4=CN=CN4
InChI
InChI=1S/C16H13N3/c1-2-4-15-13(3-1)14-6-5-11(8-16(14)19-15)7-12-9-17-10-18-12/h1-6,8-10,19H,7H2,(H,17,18)
InChIKey
SHWQRVBJVFBWGP-UHFFFAOYSA-N
Compound name
2-(1H-imidazol-5-ylmethyl)-9H-carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

67
Patents

247.11095 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11823 153.8
[M+Na]+ 270.10017 165.4
[M-H]- 246.10367 157.3
[M+NH4]+ 265.14477 171.5
[M+K]+ 286.07411 157.5
[M+H-H2O]+ 230.10821 145.7
[M+HCOO]- 292.10915 174.7
[M+CH3COO]- 306.12480 166.2
[M+Na-2H]- 268.08562 160.4
[M]+ 247.11040 154.6
[M]- 247.11150 154.6
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