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

literature stripe

Patent stripe

patents stripe