CID 21149511

66612-19-9

Structural Information

Molecular Formula
C18H21N5O3
SMILES
CCN(CC(=O)N)C1=CC=C(C=C1)N=C2C=C(C(=O)C=C2NC(=O)N)C
InChI
InChI=1S/C18H21N5O3/c1-3-23(10-17(19)25)13-6-4-12(5-7-13)21-14-8-11(2)16(24)9-15(14)22-18(20)26/h4-9H,3,10H2,1-2H3,(H2,19,25)(H3,20,22,26)
InChIKey
PMHOFGLSMYOLRF-UHFFFAOYSA-N
Compound name
2-[4-[[2-(carbamoylamino)-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene]amino]-N-ethylanilino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.16443 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.171706 184.8
[M+Na]+ 378.153648 188.9
[M-H]- 354.157154 193.2
[M+NH4]+ 373.198253 196.6
[M+K]+ 394.127588 187.2
[M+H-H2O]+ 338.161690 175.0
[M+HCOO]- 400.162631 211.3
[M+CH3COO]- 414.178281 233.5
[M+Na-2H]- 376.139096 184.3
[M]+ 355.16388142 183.0
[M]- 355.16497858 183.0
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.