CID 22569038

1150570-13-0

Structural Information

Molecular Formula
C22H24N2O4
SMILES
C1CN(CCN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC(=O)O
InChI
InChI=1S/C22H24N2O4/c25-21(26)14-23-10-5-11-24(13-12-23)22(27)28-15-20-18-8-3-1-6-16(18)17-7-2-4-9-19(17)20/h1-4,6-9,20H,5,10-15H2,(H,25,26)
InChIKey
HUVMLXYFRAJCRU-UHFFFAOYSA-N
Compound name
2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-1,4-diazepan-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

236
Patents

380.1736 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.180876 190.2
[M+Na]+ 403.162818 193.9
[M-H]- 379.166324 195.2
[M+NH4]+ 398.207423 201.1
[M+K]+ 419.136758 193.0
[M+H-H2O]+ 363.170860 181.7
[M+HCOO]- 425.171801 202.6
[M+CH3COO]- 439.187451 197.8
[M+Na-2H]- 401.148266 189.5
[M]+ 380.17305142 186.3
[M]- 380.17414858 186.3
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