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

235
Patents

380.1736 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.18088 190.2
[M+Na]+ 403.16282 193.9
[M-H]- 379.16632 195.2
[M+NH4]+ 398.20742 201.1
[M+K]+ 419.13676 193.0
[M+H-H2O]+ 363.17086 181.7
[M+HCOO]- 425.17180 202.6
[M+CH3COO]- 439.18745 197.8
[M+Na-2H]- 401.14827 189.5
[M]+ 380.17305 186.3
[M]- 380.17415 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