CID 461319

Nsc 292816

Structural Information

Molecular Formula
C26H35N3O2
SMILES
CCN1C2=C(C=C(C=C2)C(=O)CCCN(C)C)C3=C1C=CC(=C3)C(=O)CCCN(C)C
InChI
InChI=1S/C26H35N3O2/c1-6-29-23-13-11-19(25(30)9-7-15-27(2)3)17-21(23)22-18-20(12-14-24(22)29)26(31)10-8-16-28(4)5/h11-14,17-18H,6-10,15-16H2,1-5H3
InChIKey
GZZYYJSRVCAKMZ-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-1-[6-[4-(dimethylamino)butanoyl]-9-ethylcarbazol-3-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

421.27292 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.28020 210.4
[M+Na]+ 444.26214 215.4
[M-H]- 420.26564 216.4
[M+NH4]+ 439.30674 223.8
[M+K]+ 460.23608 211.8
[M+H-H2O]+ 404.27018 200.9
[M+HCOO]- 466.27112 231.0
[M+CH3COO]- 480.28677 244.6
[M+Na-2H]- 442.24759 208.3
[M]+ 421.27237 218.9
[M]- 421.27347 218.9
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