CID 183280

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

Structural Information

Molecular Formula
C17H22N4O
SMILES
CC1=CN=C(C2=C1NC3=C2C=C(C=C3)O)NCCCN(C)C
InChI
InChI=1S/C17H22N4O/c1-11-10-19-17(18-7-4-8-21(2)3)15-13-9-12(22)5-6-14(13)20-16(11)15/h5-6,9-10,20,22H,4,7-8H2,1-3H3,(H,18,19)
InChIKey
QYXMBJGTKLOZRR-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propylamino]-4-methyl-5H-pyrido[4,3-b]indol-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

298.17935 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.18663 170.6
[M+Na]+ 321.16857 179.3
[M-H]- 297.17207 172.9
[M+NH4]+ 316.21317 186.5
[M+K]+ 337.14251 173.9
[M+H-H2O]+ 281.17661 162.5
[M+HCOO]- 343.17755 191.4
[M+CH3COO]- 357.19320 210.5
[M+Na-2H]- 319.15402 175.8
[M]+ 298.17880 173.3
[M]- 298.17990 173.3
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.