CID 155802055

Hapalonamide g

Structural Information

Molecular Formula
C21H23ClN2O2
SMILES
C[C@@]1([C@@H](C[C@H]2[C@@H]([C@H]1[N+]#[C-])C(=O)C3=C(C2(C)C)C=CC=C3NC=O)Cl)C=C
InChI
InChI=1S/C21H23ClN2O2/c1-6-21(4)15(22)10-13-17(19(21)23-5)18(26)16-12(20(13,2)3)8-7-9-14(16)24-11-25/h6-9,11,13,15,17,19H,1,10H2,2-4H3,(H,24,25)/t13-,15+,17+,19+,21-/m0/s1
InChIKey
FXUGCACUUONQJC-ANFZLHQHSA-N
Compound name
N-[(6R,7R,8R,8aS,10aS)-6-chloro-7-ethenyl-8-isocyano-7,10,10-trimethyl-9-oxo-6,8,8a,10a-tetrahydro-5H-anthracen-1-yl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1448 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.15208 193.3
[M+Na]+ 393.13402 205.2
[M-H]- 369.13752 196.4
[M+NH4]+ 388.17862 210.2
[M+K]+ 409.10796 189.0
[M+H-H2O]+ 353.14206 187.0
[M+HCOO]- 415.14300 201.6
[M+CH3COO]- 429.15865 221.4
[M+Na-2H]- 391.11947 195.6
[M]+ 370.14425 186.3
[M]- 370.14535 186.3
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.