CID 11602832

4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3(2h,6h)-dione

Structural Information

Molecular Formula
C19H15ClN2O3
SMILES
CN1C=C(C2=C1C=C(C3=C2C(=O)NC3=O)C4=CC=CC=C4Cl)CCO
InChI
InChI=1S/C19H15ClN2O3/c1-22-9-10(6-7-23)15-14(22)8-12(11-4-2-3-5-13(11)20)16-17(15)19(25)21-18(16)24/h2-5,8-9,23H,6-7H2,1H3,(H,21,24,25)
InChIKey
WHMQZCPGFZBLBG-UHFFFAOYSA-N
Compound name
4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

354.07712 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.08440 183.2
[M+Na]+ 377.06634 196.3
[M-H]- 353.06984 188.5
[M+NH4]+ 372.11094 199.6
[M+K]+ 393.04028 187.9
[M+H-H2O]+ 337.07438 176.8
[M+HCOO]- 399.07532 197.5
[M+CH3COO]- 413.09097 194.6
[M+Na-2H]- 375.05179 182.4
[M]+ 354.07657 188.4
[M]- 354.07767 188.4
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

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