CID 16760577

861891-50-1

Structural Information

Molecular Formula
C19H23N3O2
SMILES
CCCCCNC1=C(C(=O)N(C1=O)C)C2=CN(C3=CC=CC=C32)C
InChI
InChI=1S/C19H23N3O2/c1-4-5-8-11-20-17-16(18(23)22(3)19(17)24)14-12-21(2)15-10-7-6-9-13(14)15/h6-7,9-10,12,20H,4-5,8,11H2,1-3H3
InChIKey
SGLOMINNEBLJFF-UHFFFAOYSA-N
Compound name
1-methyl-3-(1-methylindol-3-yl)-4-(pentylamino)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

325.17902 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.18630 178.6
[M+Na]+ 348.16824 188.9
[M-H]- 324.17174 185.0
[M+NH4]+ 343.21284 195.3
[M+K]+ 364.14218 183.4
[M+H-H2O]+ 308.17628 170.7
[M+HCOO]- 370.17722 201.7
[M+CH3COO]- 384.19287 214.4
[M+Na-2H]- 346.15369 177.9
[M]+ 325.17847 184.0
[M]- 325.17957 184.0
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

patents stripe