CID 3077056

Brn 4334659

Structural Information

Molecular Formula
C24H29N3O
SMILES
C1CCC2(C1)C3CCCC3=NC4=CC=CC=C4N2CCNC5=CC=C(C=C5)O
InChI
InChI=1S/C24H29N3O/c28-19-12-10-18(11-13-19)25-16-17-27-23-9-2-1-7-22(23)26-21-8-5-6-20(21)24(27)14-3-4-15-24/h1-2,7,9-13,20,25,28H,3-6,8,14-17H2
InChIKey
FUUGJDYDUHCCKB-UHFFFAOYSA-N
Compound name
4-(2-spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]-5-ylethylamino)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.23105 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.23833 194.1
[M+Na]+ 398.22027 198.9
[M-H]- 374.22377 201.5
[M+NH4]+ 393.26487 209.1
[M+K]+ 414.19421 193.6
[M+H-H2O]+ 358.22831 184.5
[M+HCOO]- 420.22925 208.6
[M+CH3COO]- 434.24490 201.9
[M+Na-2H]- 396.20572 193.9
[M]+ 375.23050 187.0
[M]- 375.23160 187.0
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.