CID 3564731

N-succinimidyl 6-[[4-(n-maleimidomethyl)cyclohexyl]carboxamido]hexanoate

Structural Information

Molecular Formula
C22H29N3O7
SMILES
C1CC(CCC1CN2C(=O)C=CC2=O)C(=O)NCCCCCC(=O)ON3C(=O)CCC3=O
InChI
InChI=1S/C22H29N3O7/c26-17-9-10-18(27)24(17)14-15-5-7-16(8-6-15)22(31)23-13-3-1-2-4-21(30)32-25-19(28)11-12-20(25)29/h9-10,15-16H,1-8,11-14H2,(H,23,31)
InChIKey
IHVODYOQUSEYJJ-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 6-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9445
Patents

447.20056 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.20784 203.2
[M+Na]+ 470.18978 204.4
[M-H]- 446.19328 209.0
[M+NH4]+ 465.23438 211.6
[M+K]+ 486.16372 201.9
[M+H-H2O]+ 430.19782 194.3
[M+HCOO]- 492.19876 217.8
[M+CH3COO]- 506.21441 231.4
[M+Na-2H]- 468.17523 195.0
[M]+ 447.20001 202.2
[M]- 447.20111 202.2
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

patents stripe