CID 5468794

Nsc676450

Structural Information

Molecular Formula
C20H19N5O2
SMILES
C=CCOC1=CC=CC=C1N/N=C(\C#N)/N=NC2=CC=CC=C2OCC=C
InChI
InChI=1S/C20H19N5O2/c1-3-13-26-18-11-7-5-9-16(18)22-24-20(15-21)25-23-17-10-6-8-12-19(17)27-14-4-2/h3-12,22H,1-2,13-14H2/b24-20+,25-23?
InChIKey
JLABBJVNZOOAQG-SSZPNBDMSA-N
Compound name
1-cyano-N'-(2-prop-2-enoxyanilino)-N-(2-prop-2-enoxyphenyl)iminomethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.15387 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.16115 191.5
[M+Na]+ 384.14309 197.8
[M-H]- 360.14659 199.0
[M+NH4]+ 379.18769 202.4
[M+K]+ 400.11703 193.2
[M+H-H2O]+ 344.15113 174.2
[M+HCOO]- 406.15207 217.1
[M+CH3COO]- 420.16772 238.0
[M+Na-2H]- 382.12854 195.0
[M]+ 361.15332 189.0
[M]- 361.15442 189.0
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.