CID 57339210

Dihydrochanoclavine-i aldehyde(1+)

Structural Information

Molecular Formula
C16H20N2O
SMILES
CC(C[C@H]1[C@@H](CC2=CNC3=CC=CC1=C23)NC)C=O
InChI
InChI=1S/C16H20N2O/c1-10(9-19)6-13-12-4-3-5-14-16(12)11(8-18-14)7-15(13)17-2/h3-5,8-10,13,15,17-18H,6-7H2,1-2H3/t10?,13-,15-/m1/s1
InChIKey
FZMIVISXXWRICN-SKNXHYNKSA-N
Compound name
2-methyl-3-[(4R,5R)-4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]propanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

256.15756 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16484 160.3
[M+Na]+ 279.14678 167.6
[M-H]- 255.15028 162.3
[M+NH4]+ 274.19138 179.4
[M+K]+ 295.12072 162.4
[M+H-H2O]+ 239.15482 153.5
[M+HCOO]- 301.15576 179.1
[M+CH3COO]- 315.17141 199.5
[M+Na-2H]- 277.13223 164.4
[M]+ 256.15701 160.6
[M]- 256.15811 160.6
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