CID 135801523

171853-04-6

Structural Information

Molecular Formula
C18H23N5O
SMILES
CCN(CC)CCN=C(/C(=C\C1=C(C2=CC=CC=C2N1)O)/C#N)N
InChI
InChI=1S/C18H23N5O/c1-3-23(4-2)10-9-21-18(20)13(12-19)11-16-17(24)14-7-5-6-8-15(14)22-16/h5-8,11,22,24H,3-4,9-10H2,1-2H3,(H2,20,21)/b13-11-
InChIKey
QSDBAICXMRZITI-QBFSEMIESA-N
Compound name
(Z)-2-cyano-N'-[2-(diethylamino)ethyl]-3-(3-hydroxy-1H-indol-2-yl)prop-2-enimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.19025 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.19753 186.1
[M+Na]+ 348.17947 192.5
[M-H]- 324.18297 187.2
[M+NH4]+ 343.22407 198.5
[M+K]+ 364.15341 187.2
[M+H-H2O]+ 308.18751 170.8
[M+HCOO]- 370.18845 204.2
[M+CH3COO]- 384.20410 226.3
[M+Na-2H]- 346.16492 185.5
[M]+ 325.18970 180.4
[M]- 325.19080 180.4
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.