CID 183285

Sr 95647a

Structural Information

Molecular Formula
C18H24N4O
SMILES
CC1=CN=C(C2=C1N(C3=C2C=C(C=C3)O)C)NCCCN(C)C
InChI
InChI=1S/C18H24N4O/c1-12-11-20-18(19-8-5-9-21(2)3)16-14-10-13(23)6-7-15(14)22(4)17(12)16/h6-7,10-11,23H,5,8-9H2,1-4H3,(H,19,20)
InChIKey
DXPDESOAWCQETH-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propylamino]-4,5-dimethylpyrido[4,3-b]indol-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

312.195 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.20228 176.3
[M+Na]+ 335.18422 185.8
[M-H]- 311.18772 180.1
[M+NH4]+ 330.22882 192.6
[M+K]+ 351.15816 181.0
[M+H-H2O]+ 295.19226 167.9
[M+HCOO]- 357.19320 198.2
[M+CH3COO]- 371.20885 217.1
[M+Na-2H]- 333.16967 180.5
[M]+ 312.19445 181.5
[M]- 312.19555 181.5
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