CID 3044854

Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-1,9-dimethyl-1-(2-(n-hydroxyethyl)piperazino)-, dimaleate

Structural Information

Molecular Formula
C21H31N3O2
SMILES
CC1(C2=C(CCO1)C3=CC=CC=C3N2C)CCN4CCN(CC4)CCO
InChI
InChI=1S/C21H31N3O2/c1-21(8-9-23-10-12-24(13-11-23)14-15-25)20-18(7-16-26-21)17-5-3-4-6-19(17)22(20)2/h3-6,25H,7-16H2,1-2H3
InChIKey
VLHHUISXRYJZHA-UHFFFAOYSA-N
Compound name
2-[4-[2-(1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)ethyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.24164 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.24892 190.2
[M+Na]+ 380.23086 196.5
[M-H]- 356.23436 192.8
[M+NH4]+ 375.27546 202.6
[M+K]+ 396.20480 191.3
[M+H-H2O]+ 340.23890 179.6
[M+HCOO]- 402.23984 200.4
[M+CH3COO]- 416.25549 198.1
[M+Na-2H]- 378.21631 191.2
[M]+ 357.24109 189.0
[M]- 357.24219 189.0
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