CID 15653058

1431963-41-5

Structural Information

Molecular Formula
C14H12N2
SMILES
C1=CC=C2C(=C1)C=CN2C3=CC=C(C=C3)N
InChI
InChI=1S/C14H12N2/c15-12-5-7-13(8-6-12)16-10-9-11-3-1-2-4-14(11)16/h1-10H,15H2
InChIKey
NZQHJRPNILETRB-UHFFFAOYSA-N
Compound name
4-indol-1-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

208.10005 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.10733 143.5
[M+Na]+ 231.08927 153.7
[M-H]- 207.09277 150.3
[M+NH4]+ 226.13387 163.6
[M+K]+ 247.06321 148.3
[M+H-H2O]+ 191.09731 136.0
[M+HCOO]- 253.09825 169.2
[M+CH3COO]- 267.11390 157.5
[M+Na-2H]- 229.07472 151.1
[M]+ 208.09950 143.3
[M]- 208.10060 143.3
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