CID 57339210

Dihydrochanoclavine-i aldehyde

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]+ 257.164836 160.3
[M+Na]+ 279.146778 167.6
[M-H]- 255.150284 162.3
[M+NH4]+ 274.191383 179.4
[M+K]+ 295.120718 162.4
[M+H-H2O]+ 239.154820 153.5
[M+HCOO]- 301.155761 179.1
[M+CH3COO]- 315.171411 199.5
[M+Na-2H]- 277.132226 164.4
[M]+ 256.15701142 160.6
[M]- 256.15810858 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