CID 201396

Brn 0500303

Structural Information

Molecular Formula
C18H23N3O5
SMILES
CCN1C(=C(C2=C1C(=O)C(=C(C2=O)N3CC3)C)COC(=O)NCCO)C
InChI
InChI=1S/C18H23N3O5/c1-4-21-11(3)12(9-26-18(25)19-5-8-22)13-15(21)16(23)10(2)14(17(13)24)20-6-7-20/h22H,4-9H2,1-3H3,(H,19,25)
InChIKey
JAGGLGAHGOHKCT-UHFFFAOYSA-N
Compound name
[5-(aziridin-1-yl)-1-ethyl-2,6-dimethyl-4,7-dioxoindol-3-yl]methyl N-(2-hydroxyethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.16376 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.17104 188.7
[M+Na]+ 384.15298 199.2
[M-H]- 360.15648 193.6
[M+NH4]+ 379.19758 196.9
[M+K]+ 400.12692 192.4
[M+H-H2O]+ 344.16102 181.9
[M+HCOO]- 406.16196 206.5
[M+CH3COO]- 420.17761 220.7
[M+Na-2H]- 382.13843 186.4
[M]+ 361.16321 196.4
[M]- 361.16431 196.4
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.