CID 183285

5h-pyrido(4,3-b)indol-8-ol, 4,5-dimethyl-1-((3-(dimethylamino)propyl)amino)-, (z)-2-butenedioate (salt), hydrate (2:4:1)

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

4
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.