CID 82143

Cryptolepine

Structural Information

Molecular Formula
C16H12N2
SMILES
CN1C2=CC=CC=C2C=C3C1=C4C=CC=CC4=N3
InChI
InChI=1S/C16H12N2/c1-18-15-9-5-2-6-11(15)10-14-16(18)12-7-3-4-8-13(12)17-14/h2-10H,1H3
InChIKey
KURWKDDWCJELSV-UHFFFAOYSA-N
Compound name
5-methylindolo[3,2-b]quinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

136
References

324
Patents

232.10005 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10733 151.0
[M+Na]+ 255.08927 163.4
[M-H]- 231.09277 155.7
[M+NH4]+ 250.13387 171.6
[M+K]+ 271.06321 156.9
[M+H-H2O]+ 215.09731 142.8
[M+HCOO]- 277.09825 172.2
[M+CH3COO]- 291.11390 164.6
[M+Na-2H]- 253.07472 160.2
[M]+ 232.09950 153.9
[M]- 232.10060 153.9
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