CID 3049868

1,2,3,3a-tetrahydro-3,6-dimethyl-4h-indolo(3,2,1-de)(1,5)naphthyridine

Structural Information

Molecular Formula
C16H18N2
SMILES
CC1=CCC2C3=C(CCN2C)C4=CC=CC=C4N13
InChI
InChI=1S/C16H18N2/c1-11-7-8-15-16-13(9-10-17(15)2)12-5-3-4-6-14(12)18(11)16/h3-7,15H,8-10H2,1-2H3
InChIKey
HRHPUGSNELMOMA-UHFFFAOYSA-N
Compound name
2,6-dimethyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-2,9(16),10,12,14-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

238.147 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15428 155.4
[M+Na]+ 261.13622 165.4
[M-H]- 237.13972 158.5
[M+NH4]+ 256.18082 176.1
[M+K]+ 277.11016 159.6
[M+H-H2O]+ 221.14426 147.3
[M+HCOO]- 283.14520 172.2
[M+CH3COO]- 297.16085 167.5
[M+Na-2H]- 259.12167 161.1
[M]+ 238.14645 156.1
[M]- 238.14755 156.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe