CID 3071287

5-(3-isopropylamino-2-hydroxypropoxy)-7,8-methylenedioxypyrido(3,4-b)indole chlorhydrate

Structural Information

Molecular Formula
C18H21N3O4
SMILES
CC(C)NCC(COC1=C2C3=CC4=C(C=C3NC2=CN=C1)OCO4)O
InChI
InChI=1S/C18H21N3O4/c1-10(2)20-5-11(22)8-23-17-7-19-6-14-18(17)12-3-15-16(25-9-24-15)4-13(12)21-14/h3-4,6-7,10-11,20-22H,5,8-9H2,1-2H3
InChIKey
KAUUZELGRQBUJM-UHFFFAOYSA-N
Compound name
1-(12,14-dioxa-5,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15)-hexaen-3-yloxy)-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1532 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.160476 178.1
[M+Na]+ 366.142418 185.2
[M-H]- 342.145924 181.0
[M+NH4]+ 361.187023 191.1
[M+K]+ 382.116358 183.1
[M+H-H2O]+ 326.150460 171.4
[M+HCOO]- 388.151401 192.7
[M+CH3COO]- 402.167051 187.9
[M+Na-2H]- 364.127866 181.4
[M]+ 343.15265142 182.7
[M]- 343.15374858 182.7
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.