CID 453412

Zcvujysjkvcpeu-uhfffaoysa-n

Structural Information

Molecular Formula
C20H24N4O2
SMILES
CC(C)NC1=C(N=CC=C1)N(C)CCOC(=O)C2=CC3=CC=CC=C3N2
InChI
InChI=1S/C20H24N4O2/c1-14(2)22-17-9-6-10-21-19(17)24(3)11-12-26-20(25)18-13-15-7-4-5-8-16(15)23-18/h4-10,13-14,22-23H,11-12H2,1-3H3
InChIKey
ZCVUJYSJKVCPEU-UHFFFAOYSA-N
Compound name
2-[methyl-[3-(propan-2-ylamino)pyridin-2-yl]amino]ethyl 1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

352.1899 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.19718 184.5
[M+Na]+ 375.17912 189.8
[M-H]- 351.18262 189.6
[M+NH4]+ 370.22372 196.6
[M+K]+ 391.15306 185.8
[M+H-H2O]+ 335.18716 174.5
[M+HCOO]- 397.18810 205.8
[M+CH3COO]- 411.20375 219.9
[M+Na-2H]- 373.16457 187.3
[M]+ 352.18935 187.3
[M]- 352.19045 187.3
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