CID 394282

Nsc697648

Structural Information

Molecular Formula
C14H15N5O3
SMILES
CC1=CC2=C(C=C1)NC(=C2N=NC(=NC(=O)C)NC(=O)C)O
InChI
InChI=1S/C14H15N5O3/c1-7-4-5-11-10(6-7)12(13(22)17-11)18-19-14(15-8(2)20)16-9(3)21/h4-6,17,22H,1-3H3,(H,15,16,20,21)
InChIKey
ZKCYFYQKWPQDDY-UHFFFAOYSA-N
Compound name
N-[N'-acetyl-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]carbamimidoyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1175 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.12478 167.9
[M+Na]+ 324.10672 175.3
[M-H]- 300.11022 173.7
[M+NH4]+ 319.15132 184.3
[M+K]+ 340.08066 173.5
[M+H-H2O]+ 284.11476 159.8
[M+HCOO]- 346.11570 195.5
[M+CH3COO]- 360.13135 214.4
[M+Na-2H]- 322.09217 172.0
[M]+ 301.11695 170.3
[M]- 301.11805 170.3
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

No patent data available for this compound.