CID 46937169

Trw3-(2-amino-3-hydroxy-propyl)-6-(n'-cyclohexyl-hydrazino)octahydro-indol-7-ol

Structural Information

Molecular Formula
C17H18N4O2
SMILES
C1=CC=C(C=C1)NNC2=C(C3=C(C=C2)C(=CN3)C[C@@H](C=O)N)O
InChI
InChI=1S/C17H18N4O2/c18-12(10-22)8-11-9-19-16-14(11)6-7-15(17(16)23)21-20-13-4-2-1-3-5-13/h1-7,9-10,12,19-21,23H,8,18H2/t12-/m0/s1
InChIKey
PSUOZWHAKZSNOB-LBPRGKRZSA-N
Compound name
(2S)-2-amino-3-[7-hydroxy-6-(2-phenylhydrazinyl)-1H-indol-3-yl]propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.14297 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15025 167.6
[M+Na]+ 333.13219 174.2
[M-H]- 309.13569 171.7
[M+NH4]+ 328.17679 181.2
[M+K]+ 349.10613 168.2
[M+H-H2O]+ 293.14023 159.4
[M+HCOO]- 355.14117 190.8
[M+CH3COO]- 369.15682 208.9
[M+Na-2H]- 331.11764 172.6
[M]+ 310.14242 165.5
[M]- 310.14352 165.5
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

No patent data available for this compound.