CID 390671

Nsc688303

Structural Information

Molecular Formula
C21H22ClN3O5
SMILES
COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C=C4)NO)CCl)OC)OC
InChI
InChI=1S/C21H22ClN3O5/c1-28-17-7-11-6-15(23-18(11)20(30-3)19(17)29-2)21(26)25-10-12(9-22)14-5-4-13(24-27)8-16(14)25/h4-8,12,23-24,27H,9-10H2,1-3H3
InChIKey
OYOOJEQADIYXPP-UHFFFAOYSA-N
Compound name
[3-(chloromethyl)-6-(hydroxyamino)-2,3-dihydroindol-1-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.1248 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.13208 199.6
[M+Na]+ 454.11402 209.4
[M-H]- 430.11752 204.7
[M+NH4]+ 449.15862 212.2
[M+K]+ 470.08796 203.7
[M+H-H2O]+ 414.12206 192.6
[M+HCOO]- 476.12300 213.3
[M+CH3COO]- 490.13865 226.1
[M+Na-2H]- 452.09947 198.3
[M]+ 431.12425 207.8
[M]- 431.12535 207.8
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.