CID 172429318

Didehydrocampesine a

Structural Information

Molecular Formula
C16H19N3
SMILES
CC(C)[C@H]1C=N[C@H](C=N1)CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C16H19N3/c1-11(2)16-10-17-13(9-19-16)7-12-8-18-15-6-4-3-5-14(12)15/h3-6,8-11,13,16,18H,7H2,1-2H3/t13-,16+/m0/s1
InChIKey
RUQPHBNIWFGQLK-XJKSGUPXSA-N
Compound name
3-[[(2S,5S)-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1579 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.16518 160.3
[M+Na]+ 276.14712 168.6
[M-H]- 252.15062 162.7
[M+NH4]+ 271.19172 175.4
[M+K]+ 292.12106 162.6
[M+H-H2O]+ 236.15516 151.0
[M+HCOO]- 298.15610 178.0
[M+CH3COO]- 312.17175 171.2
[M+Na-2H]- 274.13257 164.4
[M]+ 253.15735 159.4
[M]- 253.15845 159.4
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.