CID 135704077

P-acetamidobenzenesulfonyl-2 (propyne-2-yl)-3 beta-dimethylamino guanidine [french]

Structural Information

Molecular Formula
C16H23N5O3S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=NCCN(C)C)NCC#C
InChI
InChI=1S/C16H23N5O3S/c1-5-10-17-16(18-11-12-21(3)4)20-25(23,24)15-8-6-14(7-9-15)19-13(2)22/h1,6-9H,10-12H2,2-4H3,(H,19,22)(H2,17,18,20)
InChIKey
RNVLBWDQZSSYPU-UHFFFAOYSA-N
Compound name
N-[4-[[N'-[2-(dimethylamino)ethyl]-N-prop-2-ynylcarbamimidoyl]sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.15216 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.15944 196.5
[M+Na]+ 388.14138 200.6
[M-H]- 364.14488 199.8
[M+NH4]+ 383.18598 206.8
[M+K]+ 404.11532 198.8
[M+H-H2O]+ 348.14942 181.3
[M+HCOO]- 410.15036 211.2
[M+CH3COO]- 424.16601 232.2
[M+Na-2H]- 386.12683 196.1
[M]+ 365.15161 192.7
[M]- 365.15271 192.7
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.