CID 31163

22394-31-6

Structural Information

Molecular Formula
C15H12N2
SMILES
C1=CC=C(C=C1)N=CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C15H12N2/c1-2-6-13(7-3-1)16-10-12-11-17-15-9-5-4-8-14(12)15/h1-11,17H
InChIKey
UWQHHVYCAQFAII-UHFFFAOYSA-N
Compound name
1-(1H-indol-3-yl)-N-phenylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

220.10005 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10733 146.7
[M+Na]+ 243.08927 155.9
[M-H]- 219.09277 153.4
[M+NH4]+ 238.13387 166.2
[M+K]+ 259.06321 150.0
[M+H-H2O]+ 203.09731 138.7
[M+HCOO]- 265.09825 172.8
[M+CH3COO]- 279.11390 160.2
[M+Na-2H]- 241.07472 155.5
[M]+ 220.09950 146.6
[M]- 220.10060 146.6
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