CID 17534

6-chrysenamine

Structural Information

Molecular Formula
C18H13N
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)N
InChI
InChI=1S/C18H13N/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,19H2
InChIKey
KIVUHCNVDWYUNP-UHFFFAOYSA-N
Compound name
chrysen-6-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

44
References

403
Patents

243.1048 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.112076 151.6
[M+Na]+ 266.094018 162.2
[M-H]- 242.097524 158.1
[M+NH4]+ 261.138623 171.8
[M+K]+ 282.067958 155.3
[M+H-H2O]+ 226.102060 144.0
[M+HCOO]- 288.103001 174.2
[M+CH3COO]- 302.118651 164.7
[M+Na-2H]- 264.079466 162.6
[M]+ 243.10425142 151.6
[M]- 243.10534858 151.6
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