CID 509307

2-ethoxy-n-[5-[3-[(1-formylcyclohexyl)amino]propylamino]-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide

Structural Information

Molecular Formula
C25H31N5O3S
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3=NN=C(S3)NCCCNC4(CCCCC4)C=O
InChI
InChI=1S/C25H31N5O3S/c1-2-33-20-12-11-18-9-4-5-10-19(18)21(20)22(32)28-24-30-29-23(34-24)26-15-8-16-27-25(17-31)13-6-3-7-14-25/h4-5,9-12,17,27H,2-3,6-8,13-16H2,1H3,(H,26,29)(H,28,30,32)
InChIKey
DSBXTDVEZYKCAR-UHFFFAOYSA-N
Compound name
2-ethoxy-N-[5-[3-[(1-formylcyclohexyl)amino]propylamino]-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.21475 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.22203 208.2
[M+Na]+ 504.20397 211.6
[M-H]- 480.20747 214.9
[M+NH4]+ 499.24857 216.8
[M+K]+ 520.17791 205.6
[M+H-H2O]+ 464.21201 197.7
[M+HCOO]- 526.21295 223.5
[M+CH3COO]- 540.22860 240.7
[M+Na-2H]- 502.18942 211.2
[M]+ 481.21420 210.4
[M]- 481.21530 210.4
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.