CID 135801050

171853-09-1

Structural Information

Molecular Formula
C19H16N4O
SMILES
C1=CC=C(C=C1)CN=C(/C(=C\C2=C(C3=CC=CC=C3N2)O)/C#N)N
InChI
InChI=1S/C19H16N4O/c20-11-14(19(21)22-12-13-6-2-1-3-7-13)10-17-18(24)15-8-4-5-9-16(15)23-17/h1-10,23-24H,12H2,(H2,21,22)/b14-10-
InChIKey
ISPBWMUEHXNNIO-UVTDQMKNSA-N
Compound name
(Z)-N'-benzyl-2-cyano-3-(3-hydroxy-1H-indol-2-yl)prop-2-enimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.13242 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13970 185.0
[M+Na]+ 339.12164 193.6
[M-H]- 315.12514 187.6
[M+NH4]+ 334.16624 197.0
[M+K]+ 355.09558 184.7
[M+H-H2O]+ 299.12968 169.6
[M+HCOO]- 361.13062 202.6
[M+CH3COO]- 375.14627 192.7
[M+Na-2H]- 337.10709 186.1
[M]+ 316.13187 177.0
[M]- 316.13297 177.0
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.