CID 384538

Nsc674509

Structural Information

Molecular Formula
C23H23N7O4S
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NNCCO)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N
InChI
InChI=1S/C23H23N7O4S/c24-23(25)30-35(33,34)15-10-8-14(9-11-15)27-20-16-4-1-2-7-19(16)28-21-17(20)5-3-6-18(21)22(32)29-26-12-13-31/h1-11,26,31H,12-13H2,(H,27,28)(H,29,32)(H4,24,25,30)
InChIKey
IXIOOYYWQYTRQN-UHFFFAOYSA-N
Compound name
2-[4-[[4-[(2-hydroxyethylamino)carbamoyl]acridin-9-yl]amino]phenyl]sulfonylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.15323 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.16051 202.8
[M+Na]+ 516.14245 206.9
[M-H]- 492.14595 208.2
[M+NH4]+ 511.18705 207.9
[M+K]+ 532.11639 202.1
[M+H-H2O]+ 476.15049 192.8
[M+HCOO]- 538.15143 220.7
[M+CH3COO]- 552.16708 252.8
[M+Na-2H]- 514.12790 212.6
[M]+ 493.15268 203.4
[M]- 493.15378 203.4
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.