CID 393533

Nsc695589

Structural Information

Molecular Formula
C19H18ClN3O2
SMILES
COC1=CC2=C(C=C1)NC(=C2)C(=O)N3CC(C4=C3C=C(C=C4)N)CCl
InChI
InChI=1S/C19H18ClN3O2/c1-25-14-3-5-16-11(6-14)7-17(22-16)19(24)23-10-12(9-20)15-4-2-13(21)8-18(15)23/h2-8,12,22H,9-10,21H2,1H3
InChIKey
HISGMJJXXLWVIF-UHFFFAOYSA-N
Compound name
[6-amino-3-(chloromethyl)-2,3-dihydroindol-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.10876 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.11604 184.1
[M+Na]+ 378.09798 194.6
[M-H]- 354.10148 189.5
[M+NH4]+ 373.14258 200.1
[M+K]+ 394.07192 187.1
[M+H-H2O]+ 338.10602 176.7
[M+HCOO]- 400.10696 199.0
[M+CH3COO]- 414.12261 194.7
[M+Na-2H]- 376.08343 183.6
[M]+ 355.10821 187.4
[M]- 355.10931 187.4
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.