CID 3033095

1h-indole-3-acetic acid, 2-methyl-, 2-((2-propenylamino)thioxomethyl)hydrazide

Structural Information

Molecular Formula
C15H18N4OS
SMILES
CC1=C(C2=CC=CC=C2N1)CC(=O)NNC(=S)NCC=C
InChI
InChI=1S/C15H18N4OS/c1-3-8-16-15(21)19-18-14(20)9-12-10(2)17-13-7-5-4-6-11(12)13/h3-7,17H,1,8-9H2,2H3,(H,18,20)(H2,16,19,21)
InChIKey
RRWUSDYQEVLOKC-UHFFFAOYSA-N
Compound name
1-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-prop-2-enylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.12012 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12740 169.7
[M+Na]+ 325.10934 176.4
[M-H]- 301.11284 171.8
[M+NH4]+ 320.15394 185.6
[M+K]+ 341.08328 170.1
[M+H-H2O]+ 285.11738 162.5
[M+HCOO]- 347.11832 188.0
[M+CH3COO]- 361.13397 206.4
[M+Na-2H]- 323.09479 171.5
[M]+ 302.11957 170.2
[M]- 302.12067 170.2
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.